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1-Benzyl 4-pentyl (2Z)-2-butenedioate
SpectraBase Compound ID 2jagqWNujn2
InChI InChI=1S/C16H20O4/c1-2-3-7-12-19-15(17)10-11-16(18)20-13-14-8-5-4-6-9-14/h4-6,8-11H,2-3,7,12-13H2,1H3/b11-10-
InChIKey FBPZAWJUSAYYKJ-KHPPLWFESA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6yXRlOQIQWU
Name 1-Benzyl 4-pentyl (2Z)-2-butenedioate
CAS Registry Number 105113-86-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-2-3-7-12-19-15(17)10-11-16(18)20-13-14-8-5-4-6-9-14/h4-6,8-11H,2-3,7,12-13H2,1H3/b11-10-
InChIKey FBPZAWJUSAYYKJ-KHPPLWFESA-N
Molecular Weight 276.332 g/mol
SMILES CCCCCOC(=O)\C=C/C(=O)OCc1ccccc1
SPLASH splash10-0f6x-9500000000-bc91af7a9713beabec70
Source of Spectrum JC-367-204-0
Synonyms (Z)-2-butenedioic acid O1-pentyl ester O4-(phenylmethyl) ester (Z)-but-2-enedioic acid O1-amyl ester O4-benzyl ester 4-O-benzyl 1-O-pentyl (Z)-but-2-enedioate Benzyl pentyl maleate O1-pentyl O4-(phenylmethyl) (Z)-but-2-enedioate O4-benzyl O1-pentyl (Z)-but-2-enedioate
Wiley ID 1280189