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1-Benzyl 4-hexyl (2Z)-2-butenedioate
SpectraBase Compound ID 3fuIGmzOuJL
InChI InChI=1S/C17H22O4/c1-2-3-4-8-13-20-16(18)11-12-17(19)21-14-15-9-6-5-7-10-15/h5-7,9-12H,2-4,8,13-14H2,1H3/b12-11-
InChIKey RFHBWPXZZMTXLW-QXMHVHEDSA-N
Mol Weight 290.36 g/mol
Molecular Formula C17H22O4
Exact Mass 290.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 70FD5DxH8dy
Name 1-Benzyl 4-hexyl (2Z)-2-butenedioate
Alternate Name(s) (Z)-2-butenedioic acid O1-hexyl ester O4-(phenylmethyl) ester (Z)-but-2-enedioic acid O4-benzyl ester O1-hexyl ester 4-O-benzyl 1-O-hexyl (Z)-but-2-enedioate Benzyl hexyl maleate O1-hexyl O4-(phenylmethyl) (Z)-but-2-enedioate O4-benzyl O1-hexyl (Z)-but-2-enedioate
CAS Registry Number 105113-87-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O4
InChI InChI=1S/C17H22O4/c1-2-3-4-8-13-20-16(18)11-12-17(19)21-14-15-9-6-5-7-10-15/h5-7,9-12H,2-4,8,13-14H2,1H3/b12-11-
InChIKey RFHBWPXZZMTXLW-QXMHVHEDSA-N
Molecular Weight 290.359 g/mol
SMILES CCCCCCOC(=O)\C=C/C(=O)OCc1ccccc1
SPLASH splash10-0f6x-9600000000-5b506c57635f70786cce
Source of Spectrum JC-367-204-0
Wiley ID 1293750