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n-heptyl benzylsuccinate

View entire compound with spectra: 1 MS (GC)

n-heptyl benzylsuccinate
SpectraBase Compound ID B8wp6Ie7kN8
InChI InChI=1S/C18H26O4/c1-2-3-4-5-9-12-22-18(21)16(14-17(19)20)13-15-10-7-6-8-11-15/h6-8,10-11,16H,2-5,9,12-14H2,1H3,(H,19,20)
InChIKey JHQCDMOOPVNGDX-UHFFFAOYSA-N
Mol Weight 306.4 g/mol
Molecular Formula C18H26O4
Exact Mass 306.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ZjoSQoImU6
Name n-heptyl benzylsuccinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O4
InChI InChI=1S/C18H26O4/c1-2-3-4-5-9-12-22-18(21)16(14-17(19)20)13-15-10-7-6-8-11-15/h6-8,10-11,16H,2-5,9,12-14H2,1H3,(H,19,20)
InChIKey JHQCDMOOPVNGDX-UHFFFAOYSA-N
Molecular Weight 306.402 g/mol
SMILES OC(CC(C(=O)OCCCCCCC)Cc1ccccc1)=O
SPLASH splash10-0a4l-9400000000-a250f5268d1f6b59c240
Source of Spectrum JC-446-106-0
Synonyms 3-Benzyl-4-(heptyloxy)-4-oxobutanoic acid
Wiley ID 1308237