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Ethyl m-toluate
SpectraBase Compound ID Ik5HWNKJhde
InChI InChI=1S/C10H12O2/c1-3-12-10(11)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChIKey WSJNYOVBJSOQST-UHFFFAOYSA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GJkTKdgTJI
Name Ethyl-3-methyl benzoate
CAS Registry Number 120-33-2
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 164.083729624 u
Formula C10H12O2
InChI InChI=1S/C10H12O2/c1-3-12-10(11)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChIKey WSJNYOVBJSOQST-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 164.204 g/mol
Nominal Mass 164 u
Quality 940
Retention Index 1700
SMILES C=1(C(OCC)=O)C=C(C=CC1)C
SPLASH splash10-014r-8900000000-29586ed1cfb39f2ed487
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Ethyl m-methylbenzoate m-Toluic acid ethyl ester Ethyl 3-methyl benzoate
Technique GC/MS
Wiley ID DD2024_017464