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3-formylpropyl 2,4,6-trimethylbenzoate

View entire compound with spectra: 1 MS (GC)

3-formylpropyl 2,4,6-trimethylbenzoate
SpectraBase Compound ID 6mXdXQECw7b
InChI InChI=1S/C14H18O3/c1-10-8-11(2)13(12(3)9-10)14(16)17-7-5-4-6-15/h6,8-9H,4-5,7H2,1-3H3
InChIKey LEXKRTBLTKLTJD-UHFFFAOYSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4OkulMRIRHQ
Name 3-formylpropyl 2,4,6-trimethylbenzoate
Alternate Name(s) 4-Oxobutyl 2,4,6-trimethylbenzoate
CAS Registry Number 87102-03-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-10-8-11(2)13(12(3)9-10)14(16)17-7-5-4-6-15/h6,8-9H,4-5,7H2,1-3H3
InChIKey LEXKRTBLTKLTJD-UHFFFAOYSA-N
Molecular Weight 234.295 g/mol
SMILES c1(c(cc(cc1C)C)C)C(=O)OCCCC=O
SPLASH splash10-0002-2900000000-6eb92a2671d4b72fc32f
Source of Spectrum J-50-3852-14
Wiley ID 1236134