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Benzoic acid, 3-(methoxy-D3)-
SpectraBase Compound ID 7IRv1BLT5Og
InChI InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)/i1D3
InChIKey XHQZJYCNDZAGLW-FIBGUPNXSA-N
Mol Weight 155.17 g/mol
Molecular Formula C8H5D3O3
Exact Mass 155.066174 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPa9KaGuFtB
Name Benzoic acid, 3-(methoxy-D3)-
CAS Registry Number 96739-37-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5D3O3
InChI InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)/i1D3
InChIKey XHQZJYCNDZAGLW-FIBGUPNXSA-N
Molecular Weight 155.167 g/mol
SMILES OC(c1cc(OC([D])([D])[D])ccc1)=O
SPLASH splash10-0a4i-6900000000-bdff05c245e6535c4103
Source of Spectrum O-20-83-3
Synonyms meta-Methoxy-D3-benzoic acid
Wiley ID 1148831