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Methyl (11E, 13E)-12-nitroretinoate
SpectraBase Compound ID 7cNi7TwLdbi
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-UXRGUTANSA-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 5kzQwdqdxXp
Name Methyl (11E, 13E)-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-UXRGUTANSA-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 splash10-0ik9-0029000000-29765ba8c85a4ec0abbc
Source of Spectrum CRT-16-504-3a
Wiley ID 1710017