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Pentanedioic acid, 3-cyano-3-(4-methoxyphenyl)-2,4-bis(2-methyl-1-propenyl)-, dimethyl ester
SpectraBase Compound ID EAdbEfhllHI
InChI InChI=1S/C23H29NO5/c1-15(2)12-19(21(25)28-6)23(14-24,17-8-10-18(27-5)11-9-17)20(13-16(3)4)22(26)29-7/h8-13,19-20H,1-7H3
InChIKey USRPPDNSIXBBIU-UHFFFAOYSA-N
Mol Weight 399.49 g/mol
Molecular Formula C23H29NO5
Exact Mass 399.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8R6TLjdVM4J
Name Pentanedioic acid, 3-cyano-3-(4-methoxyphenyl)-2,4-bis(2-methyl-1-propenyl)-, dimethyl ester
CAS Registry Number 128746-95-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29NO5
InChI InChI=1S/C23H29NO5/c1-15(2)12-19(21(25)28-6)23(14-24,17-8-10-18(27-5)11-9-17)20(13-16(3)4)22(26)29-7/h8-13,19-20H,1-7H3
InChIKey USRPPDNSIXBBIU-UHFFFAOYSA-N
Molecular Weight 399.487 g/mol
SMILES C(C(C=C(C)C)C(=O)OC)(C(C=C(C)C)C(=O)OC)(C#N)c1ccc(cc1)OC
SPLASH splash10-03dj-6690000000-8cb8a44ac3c735af3b4e
Source of Spectrum F-46-1276-12
Synonyms 5-Cyano-4,6-dimethoxycarbonyl-2,8-dimethyl-5-(4-methoxyohenyl)-nona-2,7-diene Dimethyl 3-cyano-3-(4-methoxyphenyl)-2,4-bis(2-methyl-1-propenyl)pentanedioate
Wiley ID 1369036