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1-Methylheptyl benzoate
SpectraBase Compound ID B7gk687J4rU
InChI InChI=1S/C15H22O2/c1-3-4-5-7-10-13(2)17-15(16)14-11-8-6-9-12-14/h6,8-9,11-13H,3-5,7,10H2,1-2H3
InChIKey WARXKCSTKHDFFE-UHFFFAOYSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvzPrRi8LUS
Name BENZOIC ACID, 1-METHYLHEPTYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-3-4-5-7-10-13(2)17-15(16)14-11-8-6-9-12-14/h6,8-9,11-13H,3-5,7,10H2,1-2H3
InChIKey WARXKCSTKHDFFE-UHFFFAOYSA-N
Molecular Weight 234.1614
SMILES c1c(C(OC(CCCCCC)C)=O)cccc1
SPLASH splash10-0a4i-9800000000-ad0aaf2af2a7e5a2c2cd
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany