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Benzoic acid, 2,3,6-trimethoxy-, phenylmethyl ester
SpectraBase Compound ID 27gTNZWpYKV
InChI InChI=1S/C17H18O5/c1-19-13-9-10-14(20-2)16(21-3)15(13)17(18)22-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
InChIKey WKTUEASUPBAIPX-UHFFFAOYSA-N
Mol Weight 302.33 g/mol
Molecular Formula C17H18O5
Exact Mass 302.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IJYRj7HWmcy
Name Benzoic acid, 2,3,6-trimethoxy-, phenylmethyl ester
Alternate Name(s) 2,3,6-Trimethoxybenzoic acid benzyl ester Benzyl 2,3,6-trimethoxybenzoate 2,3,6-trimethoxybenzoic acid (phenylmethyl) ester
CAS Registry Number 62458-49-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O5
InChI InChI=1S/C17H18O5/c1-19-13-9-10-14(20-2)16(21-3)15(13)17(18)22-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
InChIKey WKTUEASUPBAIPX-UHFFFAOYSA-N
Molecular Weight 302.326 g/mol
SMILES c1(C(OCc2ccccc2)=O)c(c(OC)ccc1OC)OC
SPLASH splash10-0udi-3109000000-161e760cdc4ec84fe0f4
Source of Spectrum K-110-313-0
Wiley ID 1304637