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1-Benzyl 4-pentyl succinate
SpectraBase Compound ID LGLYxuAKiW3
InChI InChI=1S/C16H22O4/c1-2-3-7-12-19-15(17)10-11-16(18)20-13-14-8-5-4-6-9-14/h4-6,8-9H,2-3,7,10-13H2,1H3
InChIKey GVUYTZKKCMNYGB-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1iWa1ZL3SBi
Name 1-Benzyl 4-pentyl succinate
CAS Registry Number 119450-13-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-2-3-7-12-19-15(17)10-11-16(18)20-13-14-8-5-4-6-9-14/h4-6,8-9H,2-3,7,10-13H2,1H3
InChIKey GVUYTZKKCMNYGB-UHFFFAOYSA-N
Molecular Weight 278.348 g/mol
SMILES C(=O)(OCc1ccccc1)CCC(=O)OCCCCC
SPLASH splash10-052f-9600000000-64a169a710d884b00051
Source of Spectrum JC-446-106-5
Synonyms 4-O-benzyl 1-O-pentyl butanedioate Butanedioic acid O1-pentyl ester O4-(phenylmethyl) ester Butanedioic acid, pentyl phenylmethyl ester O1-pentyl O4-(phenylmethyl) butanedioate O4-benzyl O1-pentyl butanedioate Succinic acid O1-amyl ester O4-benzyl ester
Wiley ID 1282096