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Benzeneacetic acid, .alpha.-ethoxy-4-hydroxy-3-methoxy-, ethyl ester
SpectraBase Compound ID HoYhfdgcp63
InChI InChI=1S/C13H18O5/c1-4-17-12(13(15)18-5-2)9-6-7-10(14)11(8-9)16-3/h6-8,12,14H,4-5H2,1-3H3
InChIKey LOOYAIRQXAHBBU-UHFFFAOYSA-N
Mol Weight 254.28 g/mol
Molecular Formula C13H18O5
Exact Mass 254.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CA2LuYW1Oe7
Name Benzeneacetic acid, .alpha.-ethoxy-4-hydroxy-3-methoxy-, ethyl ester
Alternate Name(s) Ethyl ester-.alpha.-O-ethyl ether of vanillylmandelic acid Ethyl ethoxy(4-hydroxy-3-methoxyphenyl)acetate Vanillylmandelic acid-ethyl ester .alpha.-O-ethyl ether
CAS Registry Number 52058-10-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-4-17-12(13(15)18-5-2)9-6-7-10(14)11(8-9)16-3/h6-8,12,14H,4-5H2,1-3H3
InChIKey LOOYAIRQXAHBBU-UHFFFAOYSA-N
Molecular Weight 254.282 g/mol
SMILES Oc1ccc(cc1OC)C(C(=O)OCC)OCC
SPLASH splash10-001i-1900000000-ccb19d9ff8a39f036097
Source of Spectrum JC-90-166-2
Wiley ID 1257494