-
methyl 2-(chloromethyl)benzoate Molecule
InChIKey AAHZCIWUDPKSJP-UHFFFAOYSA-N Molecular Formula C9H9ClO2
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
-
methyl 3-[4-[2-methoxy-4-(3-methoxy-3-oxopropyl)phenoxy]phenyl]propanoate Molecule
InChIKey SYWGPADQOCSBBG-UHFFFAOYSA-N Molecular Formula C21H24O6
Related Dataset(s)
-
methyl 6-bromo-1-[(4-methoxyphenyl)methyl]indole-4-carboxylate Molecule
InChIKey NSLHWLLKHINCSE-UHFFFAOYSA-N Molecular Formula C18H16BrNO3
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- mass spectrometry (MS)
- infrared absorption spectroscopy (IR)
-
nfdi4chem-mol1019 (Unknown Molecule) Molecule
InChIKey MSWWFXVWFILBNM-UHFFFAOYSA-L Molecular Formula C68H56Cu2I2N4P4
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 31P nuclear magnetic resonance spectroscopy (31P NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- electrospray ionisation mass spectrometry (ESMS)
- single crystal X-ray diffraction (single-crystal X-ray diffraction)
- 1H--1H correlation spectroscopy (1H-1H COSY)
-
nfdi4chem-mol1357 (Unknown Molecule) Molecule
InChIKey LCYWCZWKUOWKCQ-OQLLNIDSSA-N Molecular Formula C13H10N2O
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- mass spectrometry (MS)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
-
nfdi4chem-mol1479 (Unknown Molecule) Molecule
InChIKey OKJYZNMQBKIKLJ-UHFFFAOYSA-L Molecular Formula C68H56Br2Cu2N4P4
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- electrospray ionisation mass spectrometry (ESMS)
- single crystal X-ray diffraction (single-crystal X-ray diffraction)
- heteronuclear two-dimensional nuclear magnetic resonance spectroscopy (heteronuclear 2D NMR)
- two-dimensional nuclear magnetic resonance spectroscopy (2D NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- proton-decoupled 31P nuclear magnetic resonance spectroscopy (31P{1H}-NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
nfdi4chem-mol1599 (Unknown Molecule) Molecule
InChIKey LRHQVSJDOPYCOR-UHFFFAOYSA-M Molecular Formula C47H45ClN3PPd
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- fast-atom bombardment mass spectrometry (FABMS)
- high resolution fast-atom bombardment mass spectrometry (HRFABMS)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
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nfdi4chem-mol1982 (Unknown Molecule) Molecule
InChIKey NHXSMEATCRWYPK-ROJLCIKYSA-N Molecular Formula C32H26N2O5
Related Dataset(s)
- high-resolution mass spectrometry (HRMS)
- attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- thin-layer chromatography (TLC)
- atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- single crystal X-ray diffraction (single-crystal X-ray diffraction)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
-
nfdi4chem-mol2345 (Unknown Molecule) Molecule
InChIKey IXNGYVJZOWPTAB-UHFFFAOYSA-N Molecular Formula C50H70Br4N2S5Si2
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
-
nfdi4chem-mol4463 (Unknown Molecule) Molecule
InChIKey FCRXEDDTFRNVBW-UHFFFAOYSA-N Molecular Formula C62H44N4O2
Related Dataset(s)
- Fourier transform infrared spectroscopy (FTIR)
- mass spectrometry (MS)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- ultraviolet-visible spectrophotometry (UV-VIS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
-
nfdi4chem-mol6661 (Unknown Molecule) Molecule
InChIKey PPQWXNWLIDJACB-BIPCEHGGSA-N Molecular Formula C19H23N3O
Related Dataset(s)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
-
nfdi4chem-mol8143 (Unknown Molecule) Molecule
InChIKey PRRWRQFRATVSFB-UHFFFAOYSA-N Molecular Formula C70H56Cu2N6P4S2
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- electrospray ionisation mass spectrometry (ESMS)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- proton-decoupled 31P nuclear magnetic resonance spectroscopy (31P{1H}-NMR)
-
nfdi4chem-mol9556 (Unknown Molecule) Molecule
InChIKey CANKPKUOEXKNBY-UHFFFAOYSA-N Molecular Formula C74H44N4O2
Related Dataset(s)
- ultraviolet-visible spectrophotometry (UV-VIS)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- infrared absorption spectroscopy (IR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- mass spectrometry (MS)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
-
nfdi4chem-mol9571 (Unknown Molecule) Molecule
InChIKey NKRBFPOZJUPLQX-UHFFFAOYSA-L Molecular Formula C68H56Cl2Cu2N4P4
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- infrared absorption spectroscopy (IR)
- heteronuclear single quantum coherence (HSQC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- single crystal X-ray diffraction (single-crystal X-ray diffraction)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- electrospray ionisation mass spectrometry (ESMS)
- 31P nuclear magnetic resonance spectroscopy (31P NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
-
octyl (Z)-2-cyano-3-[10-[10-[(E)-2-cyano-3-octoxy-3-oxoprop-1-enyl]-7-(2-ethy... Molecule
InChIKey PRRZJNHZGSYFKI-UHPXYXOESA-N Molecular Formula C56H74N4O4S4
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
-
pentanoic acid Molecule
InChIKey NQPDZGIKBAWPEJ-UHFFFAOYSA-N Molecular Formula C5H10O2
Related Dataset(s)
- Propylacetic acid, 1-Butanecarboxylic acid, Valerate, Valerianic acid, Carboxylic Acid C5, n-Valeric acid, Pentanoic acid, Pentanoate, Pentane Acid; LC-ESI-QQ; MS2
- VALERIC ACID; EI-B; MS
- Pentanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- Pentanoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
- Pentanoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Propylacetic acid, 1-Butanecarboxylic acid, Valerate, Valerianic acid, Carboxylic Acid C5, n-Valeric acid, Pentanoic acid, Pentanoate, Pentane Acid; LC-ESI-QQ; MS2
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Pentanoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Pentanoic acid; LC-ESI-IT; MS2; m/z: 101.2; [M-H]-
- VALERIC ACID; EI-B; MS
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Pentanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
-
pentylsulfonylbenzene Molecule
InChIKey YTGRXDYSNRZUEE-UHFFFAOYSA-N Molecular Formula C11H16O2S
Related Dataset(s)
- attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
- high-resolution mass spectrometry (HRMS)
- electron ionisation mass spectrometry (EI-MS)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
-
potassium bis(2-methylphenyl)-dithiophen-2-ylboranuide Molecule
InChIKey LPAVHVNFCXQWAG-UHFFFAOYSA-N Molecular Formula C22H20BKS2
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
potassium bis(3-chlorophenyl)-dithiophen-2-ylboranuide Molecule
InChIKey OQPKPUBOLLRDPV-UHFFFAOYSA-N Molecular Formula C20H14BCl2KS2
Related Dataset(s)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
potassium phenyl(trithiophen-2-yl)boranuide Molecule
InChIKey CXKUZQOZUYGSEG-UHFFFAOYSA-N Molecular Formula C18H14BKS3
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
