For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3'-Methylphenyl 3-chloro-3-methylbutanoate
SpectraBase Compound ID 2nBRIplcHdV
InChI InChI=1S/C12H15ClO2/c1-9-5-4-6-10(7-9)15-11(14)8-12(2,3)13/h4-7H,8H2,1-3H3
InChIKey BJHKOGKMPDFNPU-UHFFFAOYSA-N
Mol Weight 226.7 g/mol
Molecular Formula C12H15ClO2
Exact Mass 226.076057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EXb2LzAlcd2
Name 3'-Methylphenyl 3-chloro-3-methylbutanoate
Alternate Name(s) 3-Methylphenyl 3-chloro-3-methylbutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15ClO2
InChI InChI=1S/C12H15ClO2/c1-9-5-4-6-10(7-9)15-11(14)8-12(2,3)13/h4-7H,8H2,1-3H3
InChIKey BJHKOGKMPDFNPU-UHFFFAOYSA-N
Molecular Weight 226.703 g/mol
SMILES C(CC(Cl)(C)C)(Oc1cc(C)ccc1)=O
SPLASH splash10-0a59-9500000000-e1b6003e280e2e314f4e
Source of Spectrum H1-38-2110-7
Wiley ID 756654