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Methyl (11E, 13Z)-12-nitroretinoate

View entire compound with spectra: 1 MS (GC)

Methyl (11E, 13Z)-12-nitroretinoate
SpectraBase Compound ID 8Eueg4cmlmr
InChI InChI=1S/C21H29NO4/c1-15(9-11-18-16(2)8-7-13-21(18,4)5)10-12-19(22(24)25)17(3)14-20(23)26-6/h9-12,14H,7-8,13H2,1-6H3/b11-9+,15-10+,17-14-,19-12+
InChIKey JMKVAKMOWKUKJF-ISKBXUCASA-N
Mol Weight 359.47 g/mol
Molecular Formula C21H29NO4
Exact Mass 359.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1AWWturuHjk
Name Methyl (11E, 13Z)-12-nitroretinoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29NO4
InChI InChI=1S/C21H29NO4/c1-15(9-11-18-16(2)8-7-13-21(18,4)5)10-12-19(22(24)25)17(3)14-20(23)26-6/h9-12,14H,7-8,13H2,1-6H3/b11-9+,15-10+,17-14-,19-12+
InChIKey JMKVAKMOWKUKJF-ISKBXUCASA-N
Molecular Weight 359.466 g/mol
SMILES C(\C=C/(\C(N(=O)=O)=C/C=C/(\C=C\C1=C(CCCC1(C)C)C)C)C)(=O)OC
SPLASH splash10-03di-0009000000-4a2a6830327937e603be
Source of Spectrum CRT-16-504-3b
Wiley ID 1710016