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Ethyl [1-13C]-(E)-4-(Benzyloxy)but-2-enoate
SpectraBase Compound ID B5z797lpXSM
InChI InChI=1S/C13H16O3/c1-2-16-13(14)9-6-10-15-11-12-7-4-3-5-8-12/h3-9H,2,10-11H2,1H3/b9-6+/i13+1
InChIKey AVFZSZKFMFOGQL-PHLKGZLDSA-N
Mol Weight 221.26 g/mol
Molecular Formula C1213CH16O3
Exact Mass 221.113299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41x8LcWKEoX
Name Ethyl [1-13C]-(E)-4-(Benzyloxy)but-2-enoate
Comments Original formula: C12[13C]H16O3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-2-16-13(14)9-6-10-15-11-12-7-4-3-5-8-12/h3-9H,2,10-11H2,1H3/b9-6+/i13+1
InChIKey AVFZSZKFMFOGQL-PHLKGZLDSA-N
Literature Reference DOI 10.1039/c4cc00177j
Molecular Weight 221.260 g/mol
SMILES CCO[13C](\C=C\COCc1ccccc1)=O
SPLASH splash10-00kf-9200000000-55bd118e766f4e117ab4
Source of Spectrum KD-50-4228/SMS13-5a
Wiley ID 1754454