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Benzoic acid, 3,5-dihydroxy-2-methyl-4-(methyl-D3)-, methyl ester

View entire compound with spectra: 1 MS (GC)

Benzoic acid, 3,5-dihydroxy-2-methyl-4-(methyl-D3)-, methyl ester
SpectraBase Compound ID 2PsUPyjv3zM
InChI InChI=1S/C10H12O4/c1-5-7(10(13)14-3)4-8(11)6(2)9(5)12/h4,11-12H,1-3H3/i2D3
InChIKey YTMZTSGRUMCHJS-BMSJAHLVSA-N
Mol Weight 199.22 g/mol
Molecular Formula C10H92D3O4
Exact Mass 199.092389 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kbpHKJxhNC
Name Benzoic acid, 3,5-dihydroxy-2-methyl-4-(methyl-D3)-, methyl ester
Alternate Name(s) Methyl 3,5-dihydroxy-2-methyl-4-[(2)H3]methylbenzoate
CAS Registry Number 89505-62-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9D3O4
InChI InChI=1S/C10H12O4/c1-5-7(10(13)14-3)4-8(11)6(2)9(5)12/h4,11-12H,1-3H3/i2D3
InChIKey YTMZTSGRUMCHJS-BMSJAHLVSA-N
Molecular Weight 199.220 g/mol
SMILES Oc1c(c(cc(c1C)C(=O)OC)O)C([2D])([2D])[2D]
SPLASH splash10-014s-0900000000-c29cb4943cb5deadd5a8
Source of Spectrum KC-1983-2748-0
Wiley ID 1192739