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1-Benzyl 4-heptyl (2Z)-2-butenedioate
SpectraBase Compound ID BrSVGTZtc7F
InChI InChI=1S/C18H24O4/c1-2-3-4-5-9-14-21-17(19)12-13-18(20)22-15-16-10-7-6-8-11-16/h6-8,10-13H,2-5,9,14-15H2,1H3/b13-12-
InChIKey XEVKGIPUSBFOLR-SEYXRHQNSA-N
Mol Weight 304.39 g/mol
Molecular Formula C18H24O4
Exact Mass 304.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8M6ErY7Tomo
Name 1-Benzyl 4-heptyl (2Z)-2-butenedioate
CAS Registry Number 105113-88-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O4
InChI InChI=1S/C18H24O4/c1-2-3-4-5-9-14-21-17(19)12-13-18(20)22-15-16-10-7-6-8-11-16/h6-8,10-13H,2-5,9,14-15H2,1H3/b13-12-
InChIKey XEVKGIPUSBFOLR-SEYXRHQNSA-N
Molecular Weight 304.386 g/mol
SMILES CCCCCCCOC(=O)\C=C/C(=O)OCc1ccccc1
SPLASH splash10-0k96-9400000000-8c88ac42d18470206250
Source of Spectrum JC-367-205-0
Synonyms (Z)-2-butenedioic acid O1-heptyl ester O4-(phenylmethyl) ester (Z)-but-2-enedioic acid O4-benzyl ester O1-heptyl ester 4-O-benzyl 1-O-heptyl (Z)-but-2-enedioate Benzyl heptyl maleate O1-heptyl O4-(phenylmethyl) (Z)-but-2-enedioate O4-benzyl O1-heptyl (Z)-but-2-enedioate
Wiley ID 1306587