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Benzoic acid methyl ester
SpectraBase Compound ID 7bPhkdZ84yU
InChI InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey QPJVMBTYPHYUOC-UHFFFAOYSA-N
Mol Weight 136.15 g/mol
Molecular Formula C8H8O2
Exact Mass 136.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GW76DEDKEnw
Name Methyl benzoate
CAS Registry Number 93-58-3
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 136.052429496 u
Formula C8H8O2
InChI InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey QPJVMBTYPHYUOC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 136.150 g/mol
Nominal Mass 136 u
Quality 974
Retention Index 1070
SMILES C=1(C(OC)=O)C=CC=CC1
SPLASH splash10-0a6r-8900000000-c9b2229d31d22e190855
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzoic acid,methyl ester
Technique GC/MS
Wiley ID DD2024_011626