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

*Links on SpectraBase are not permalinks.
t-Butyl 3-methylbenzoate
SpectraBase Compound ID IGAmoMn6Ysf
InChI InChI=1S/C12H16O2/c1-9-6-5-7-10(8-9)11(13)14-12(2,3)4/h5-8H,1-4H3
InChIKey AWWFAZAXUAVMPE-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 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 2h0OkhWTEu
Name t-Butyl 3-methylbenzoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-9-6-5-7-10(8-9)11(13)14-12(2,3)4/h5-8H,1-4H3
InChIKey AWWFAZAXUAVMPE-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/open.201900130
Molecular Weight 192.258 g/mol
SMILES c1(cc(ccc1)C(=O)OC(C)(C)C)C
SPLASH splash10-014l-9600000000-52e030f278cdb936e26c
Source of Spectrum CHO-8-SM10-15
Thin-Layer Chromatography Rf = 0.14 (petroleum ether/EtOAc, 100:1)
Wiley ID 1835507