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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 CVL4ojCkvTD
Name 1-Methylheptyl benzoate
CAS Registry Number 6938-51-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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 234.339 g/mol
SMILES c1cc(ccc1)C(=O)OC(C)CCCCCC
SPLASH splash10-0a4i-9800000000-aa3629d9c022b42f63fe
Synonyms 2-Octyl benzoate benzoic acid 1-methylheptyl ester benzoic acid octan-2-yl ester Octan-2-yl benzoate
Wiley ID 1484886