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1-Methylheptyl 4-methylbenzoate

View entire compound with spectra: 1 MS (GC)

1-Methylheptyl 4-methylbenzoate
SpectraBase Compound ID HzAQlQqQhwa
InChI InChI=1S/C16H24O2/c1-4-5-6-7-8-14(3)18-16(17)15-11-9-13(2)10-12-15/h9-12,14H,4-8H2,1-3H3
InChIKey RNZXEXQHGNXATD-UHFFFAOYSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6bB9gI0AhAN
Name 1-Methylheptyl 4-methylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-4-5-6-7-8-14(3)18-16(17)15-11-9-13(2)10-12-15/h9-12,14H,4-8H2,1-3H3
InChIKey RNZXEXQHGNXATD-UHFFFAOYSA-N
Molecular Weight 248.366 g/mol
SMILES C(OC(CCCCCC)C)(c1ccc(cc1)C)=O
SPLASH splash10-014l-9800000000-33b3abf893b5a21d19fb
Source of Spectrum IC-682-0-0
Synonyms 4-Methylbenzoic acid 1-methylheptyl ester 4-Methylbenzoic acid octan-2-yl ester Octan-2-yl 4-methylbenzoate p-Toluic acid, 2-octyl ester
Wiley ID 1251591