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Mandelic acid, ethyl ester
SpectraBase Compound ID Le7w2zp3NQJ
InChI InChI=1S/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3
InChIKey SAXHIDRUJXPDOD-UHFFFAOYSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CTmtg1y6p0L
Name Ethyl mandelate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 180.078644243 u
Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3
InChIKey SAXHIDRUJXPDOD-UHFFFAOYSA-N
Instrument Name SHIMADZU Nexis GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1021/acscatal.1c05510
Molecular Weight 180.203 g/mol
Quality 183
SMILES OC(C=1C=CC=CC1)C(OCC)=O
SPLASH splash10-056r-9800000000-40d05b39c6f3988b392d
Source of Spectrum ACSC-12-SM10-2 (DOI: 10.1021/acscatal.1c05510)
Wiley ID 1890596