-
nfdi4chem-mol7719 (Unknown Molecule) Molecule
InChIKey JVCZUZVUVDDSML-LSDHQDQOSA-N Molecular Formula C17H21BrN6
Related Dataset(s)
- mass spectrometry (MS)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- X-ray diffraction (XRD)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
nfdi4chem-mol8143 (Unknown Molecule) Molecule
InChIKey PRRWRQFRATVSFB-UHFFFAOYSA-N Molecular Formula C70H56Cu2N6P4S2
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- infrared absorption spectroscopy (IR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- electrospray ionisation mass spectrometry (ESMS)
- proton-decoupled 31P nuclear magnetic resonance spectroscopy (31P{1H}-NMR)
-
nfdi4chem-mol8238 (Unknown Molecule) Molecule
InChIKey BMBRODYQLVMXRY-UHFFFAOYSA-N Molecular Formula C35H50O2S4Si4
Related Dataset(s)
-
nfdi4chem-mol8453 (Unknown Molecule) Molecule
InChIKey SSTDOKZYUWDQQQ-FBMGVBCBSA-N Molecular Formula C14H26N6O
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- fast-atom bombardment mass spectrometry (FABMS)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
nfdi4chem-mol9424 (Unknown Molecule) Molecule
InChIKey XXFHPNBSMJVYMQ-UHFFFAOYSA-N Molecular Formula C77H56N4O
Related Dataset(s)
-
nfdi4chem-mol9556 (Unknown Molecule) Molecule
InChIKey CANKPKUOEXKNBY-UHFFFAOYSA-N Molecular Formula C74H44N4O2
Related Dataset(s)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- infrared absorption spectroscopy (IR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- mass spectrometry (MS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- ultraviolet-visible spectrophotometry (UV-VIS)
-
nfdi4chem-mol9571 (Unknown Molecule) Molecule
InChIKey NKRBFPOZJUPLQX-UHFFFAOYSA-L Molecular Formula C68H56Cl2Cu2N4P4
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- 31P nuclear magnetic resonance spectroscopy (31P NMR)
- single crystal X-ray diffraction (single-crystal X-ray diffraction)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- heteronuclear single quantum coherence (HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- electrospray ionisation mass spectrometry (ESMS)
-
nfdi4chem-mol9995 (Unknown Molecule) Molecule
InChIKey GZXDXORFZUUVGU-XUTLUUPISA-N Molecular Formula C17H30N6O
Related Dataset(s)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- fast-atom bombardment mass spectrometry (FABMS)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- infrared absorption spectroscopy (IR)
-
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
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Pentanoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
- Pentanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Pentanoic acid; LC-ESI-IT; MS2; m/z: 101.2; [M-H]-
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Pentanoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- 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:40 V; [M-H]-
- Pentanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
-
pentylsulfonylbenzene Molecule
InChIKey YTGRXDYSNRZUEE-UHFFFAOYSA-N Molecular Formula C11H16O2S
Related Dataset(s)
- high-resolution mass spectrometry (HRMS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- electron ionisation mass spectrometry (EI-MS)
- 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)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 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 nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
-
potassium phenyl(trithiophen-2-yl)boranuide Molecule
InChIKey CXKUZQOZUYGSEG-UHFFFAOYSA-N Molecular Formula C18H14BKS3
Related Dataset(s)
- 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)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
-
potassium;3-oxoisoindol-1-olate Molecule
InChIKey FYRHIOVKTDQVFC-UHFFFAOYSA-M Molecular Formula C8H4KNO2
Related Dataset(s)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 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)
- distortionless enhancement with polarization transfer (DEPT)
-
prop-2-yn-1-amine Molecule
InChIKey JKANAVGODYYCQF-UHFFFAOYSA-N Molecular Formula C3H5N
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
-
prop-2-ynylbenzene Molecule
InChIKey NGKSKVYWPINGLI-UHFFFAOYSA-N Molecular Formula C9H8
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
-
propylsulfanylbenzene Molecule
InChIKey NWYDLOBJQIJDGH-UHFFFAOYSA-N Molecular Formula C9H12S
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- electron ionisation mass spectrometry (EI-MS)
- attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- high-resolution mass spectrometry (HRMS)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
-
pyridin-2-yl-bis(2,4,6-trimethylphenyl)phosphane Molecule
InChIKey QNBKMQZCZWGCCM-UHFFFAOYSA-N Molecular Formula C23H26NP
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- infrared absorption spectroscopy (IR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 31P nuclear magnetic resonance spectroscopy (31P NMR)
- heteronuclear single quantum coherence (HSQC)
- mass spectrometry (MS)
- distortionless enhancement with polarization transfer (DEPT)
-
pyridin-4-ylmethanamine Molecule
InChIKey TXQWFIVRZNOPCK-UHFFFAOYSA-N Molecular Formula C6H8N2
Related Dataset(s)
-
pyridine-2-carbaldehyde Molecule
InChIKey CSDSSGBPEUDDEE-UHFFFAOYSA-N Molecular Formula C6H5NO
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
