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nfdi4chem-mol9921 (Unknown Molecule) Molecule
InChIKey UJCGNKLVRQYSIX-UHFFFAOYSA-N Molecular Formula C6H8O4S2
Related Dataset(s)
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nfdi4chem-mol9939 (Unknown Molecule) Molecule
InChIKey WBYJCLBFMQWPSQ-OCEACIFDSA-N Molecular Formula C24H22N2O4
Related Dataset(s)
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nfdi4chem-mol9943 (Unknown Molecule) Molecule
InChIKey XSDMQMVIDCRHRR-UHFFFAOYSA-K Molecular Formula C49H36EuF3N4O6
Related Dataset(s)
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nfdi4chem-mol9965 (Unknown Molecule) Molecule
InChIKey KDRSLBFLNRXUDT-UHFFFAOYSA-N Molecular Formula C15H22N2O4S
Related Dataset(s)
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nfdi4chem-mol9983 (Unknown Molecule) Molecule
InChIKey BAPAEQFHSFXKPD-OCOZRVBESA-N Molecular Formula C22H17FN2O4
Related Dataset(s)
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nfdi4chem-mol9988 (Unknown Molecule) Molecule
InChIKey UAYOEZBMWJYGBX-BWQJBSMHSA-N Molecular Formula C76H50N4O8
Related Dataset(s)
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nfdi4chem-mol9995 (Unknown Molecule) Molecule
InChIKey GZXDXORFZUUVGU-XUTLUUPISA-N Molecular Formula C17H30N6O
Related Dataset(s)
- fast-atom bombardment mass spectrometry (FABMS)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
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nfdi4chem-mol9999 (Unknown Molecule) Molecule
InChIKey MNLKUFJMYPPINQ-UHFFFAOYSA-N Molecular Formula C15H20N2Si
Related Dataset(s)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- electrospray ionisation quadrupole detection (ESI Q Trap)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
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nitrosobenzene Molecule
InChIKey NLRKCXQQSUWLCH-UHFFFAOYSA-N Molecular Formula C6H5NO
Related Dataset(s)
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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)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
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oxan-4-yl (E)-2-phenylethenesulfonate Molecule
InChIKey XMTQMZHHYLURMF-DHZHZOJOSA-N Molecular Formula C13H16O4S
Related Dataset(s)
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palladium;tricyclohexylphosphane Molecule
InChIKey JGBZTJWQMWZVNX-UHFFFAOYSA-N Molecular Formula C36H66P2Pd
Related Dataset(s)
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palladium;triphenylphosphane Molecule
InChIKey NFHFRUOZVGFOOS-UHFFFAOYSA-N Molecular Formula C72H60P4Pd
Related Dataset(s)
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pent-1-yne Molecule
InChIKey IBXNCJKFFQIKKY-UHFFFAOYSA-N Molecular Formula C5H8
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
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pentacyclo[11.7.1.01,10.03,8.014,19]henicosa-3,5,7,10,14,16,18-heptaene-2,9,2... Molecule
InChIKey IKYAJDXLFUIGJJ-UHFFFAOYSA-N Molecular Formula C21H14O3
Related Dataset(s)
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pentacyclo[11.8.2.216,19.02,12.04,9]pentacosa-1,4,6,8,12,16,18,22,24-nonaen-3... Molecule
InChIKey IDTBYMIQPLRBEI-UHFFFAOYSA-N Molecular Formula C25H22O
Related Dataset(s)
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pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene-4,... Molecule
InChIKey PJTVVOXJBUJBDE-UHFFFAOYSA-N Molecular Formula C22H12N2
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- X-ray diffraction (XRD)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- mass spectrometry (MS)
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pentan-1-amine Molecule
InChIKey DPBLXKKOBLCELK-UHFFFAOYSA-N Molecular Formula C5H13N
Related Dataset(s)
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pentanoic acid Molecule
InChIKey NQPDZGIKBAWPEJ-UHFFFAOYSA-N Molecular Formula C5H10O2
Related Dataset(s)
- Pentanoic acid; LC-ESI-IT; MS2; m/z: 101.2; [M-H]-
- 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]-
- Pentanoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 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
- Propylacetic acid, 1-Butanecarboxylic acid, Valerate, Valerianic acid, Carboxylic Acid C5, n-Valeric acid, Pentanoic acid, Pentanoate, Pentane Acid; LC-ESI-QQ; MS2
- Pentanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Pentanoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
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pentylsulfonylbenzene Molecule
InChIKey YTGRXDYSNRZUEE-UHFFFAOYSA-N Molecular Formula C11H16O2S
Related Dataset(s)
- electron ionisation mass spectrometry (EI-MS)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
- high-resolution mass spectrometry (HRMS)