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1-Benzyl 4-nonyl (2Z)-2-butenedioate
SpectraBase Compound ID IaaE3DSmsOj
InChI InChI=1S/C20H28O4/c1-2-3-4-5-6-7-11-16-23-19(21)14-15-20(22)24-17-18-12-9-8-10-13-18/h8-10,12-15H,2-7,11,16-17H2,1H3/b15-14-
InChIKey GFORWQDULRKMOB-PFONDFGASA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Gc7PxLAzJA
Name 1-Benzyl 4-nonyl (2Z)-2-butenedioate
Alternate Name(s) (Z)-2-butenedioic acid O1-nonyl ester O4-(phenylmethyl) ester (Z)-but-2-enedioic acid O4-benzyl ester O1-nonyl ester 4-O-benzyl 1-O-nonyl (Z)-but-2-enedioate Benzyl nonyl maleate O1-nonyl O4-(phenylmethyl) (Z)-but-2-enedioate O4-benzyl O1-nonyl (Z)-but-2-enedioate
CAS Registry Number 105113-90-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-2-3-4-5-6-7-11-16-23-19(21)14-15-20(22)24-17-18-12-9-8-10-13-18/h8-10,12-15H,2-7,11,16-17H2,1H3/b15-14-
InChIKey GFORWQDULRKMOB-PFONDFGASA-N
Molecular Weight 332.440 g/mol
SMILES CCCCCCCCCOC(=O)\C=C/C(=O)OCc1ccccc1
SPLASH splash10-0k96-9400000000-8ffa04a654600305533f
Source of Spectrum JC-367-205-0
Wiley ID 1329627