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N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-(5Z,8Z,11Z,14Z)-icosatetra-5,8,11,14-enamide
SpectraBase Compound ID 9deTSaJ68gM
InChI InChI=1S/C31H43N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29(35)32-30-27(2)33(3)34(31(30)36)28-24-21-20-22-25-28/h8-9,11-12,14-15,17-18,20-22,24-25H,4-7,10,13,16,19,23,26H2,1-3H3,(H,32,35)/b9-8-,12-11-,15-14-,18-17-
InChIKey GQGFTACYWTUWFF-GKFVBPDJSA-N
Mol Weight 489.7 g/mol
Molecular Formula C31H43N3O2
Exact Mass 489.335528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fb6gxYSkQks
Name N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-(5Z,8Z,11Z,14Z)-icosatetra-5,8,11,14-enamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H43N3O2
InChI InChI=1S/C31H43N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29(35)32-30-27(2)33(3)34(31(30)36)28-24-21-20-22-25-28/h8-9,11-12,14-15,17-18,20-22,24-25H,4-7,10,13,16,19,23,26H2,1-3H3,(H,32,35)/b9-8-,12-11-,15-14-,18-17-
InChIKey GQGFTACYWTUWFF-GKFVBPDJSA-N
Literature Reference DOI 10.1002/cmdc.200800271
Molecular Weight 489.704 g/mol
SMILES N(C(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C1=C(N(N(C1=O)c1ccccc1)C)C
SPLASH splash10-0udi-3090200000-7a437ae0108871bde159
Source of Spectrum CMC-3-1963-9
Synonyms (5Z,8Z,11Z,14Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)icosa-5,8,11,14-tetraenamide (5Z,8Z,11Z,14Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)eicosa-5,8,11,14-tetraenamide (5Z,8Z,11Z,14Z)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)icosa-5,8,11,14-tetraenamide (5Z,8Z,11Z,14Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)icosa-5,8,11,14-tetraenamide (5Z,8Z,11Z,14Z)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)icosa-5,8,11,14-tetraenamide
Wiley ID 1771491