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Butyl ortho toluate

View entire compound with spectra: 2 MS (GC)

Butyl ortho toluate
SpectraBase Compound ID KBGxAcagJXY
InChI InChI=1S/C12H16O2/c1-3-4-9-14-12(13)11-8-6-5-7-10(11)2/h5-8H,3-4,9H2,1-2H3
InChIKey GALQLODNTKQGFE-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ubl1EMAcyZ
Name Butyl ortho toluate
Alternate Name(s) ortho-Toluic acid butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-3-4-9-14-12(13)11-8-6-5-7-10(11)2/h5-8H,3-4,9H2,1-2H3
InChIKey GALQLODNTKQGFE-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 192.258 g/mol
SMILES CCCCOC(=O)c1ccccc1C
SPLASH splash10-014l-7900000000-92afd492afaf7d4b9653
Source of Spectrum SRH-2022-52-0
Wiley ID 1822595