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1-Benzyl 4-decyl (2Z)-2-butenedioate
SpectraBase Compound ID JrictRF2xkN
InChI InChI=1S/C21H30O4/c1-2-3-4-5-6-7-8-12-17-24-20(22)15-16-21(23)25-18-19-13-10-9-11-14-19/h9-11,13-16H,2-8,12,17-18H2,1H3/b16-15-
InChIKey NNKQKRIVPWSGJG-NXVVXOECSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FzouOxyg8z
Name 1-Benzyl 4-decyl (2Z)-2-butenedioate
CAS Registry Number 105113-91-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-2-3-4-5-6-7-8-12-17-24-20(22)15-16-21(23)25-18-19-13-10-9-11-14-19/h9-11,13-16H,2-8,12,17-18H2,1H3/b16-15-
InChIKey NNKQKRIVPWSGJG-NXVVXOECSA-N
Molecular Weight 346.467 g/mol
SMILES CCCCCCCCCCOC(=O)\C=C/C(=O)OCc1ccccc1
SPLASH splash10-0k96-9300000000-5c232711b3fc23842f71
Source of Spectrum JC-367-205-0
Synonyms (Z)-2-butenedioic acid O1-decyl ester O4-(phenylmethyl) ester (Z)-but-2-enedioic acid O4-benzyl ester O1-decyl ester 4-O-benzyl 1-O-decyl (Z)-but-2-enedioate Benzyl decyl maleate O1-decyl O4-(phenylmethyl) (Z)-but-2-enedioate O4-benzyl O1-decyl (Z)-but-2-enedioate
Wiley ID 1339510