| SpectraBase Spectrum ID |
4lJ5cG1O6q |
| Name |
4-Hydroxy-benzoic acid methyl ester (D2) |
| CAS Registry Number |
99-76-3 |
| Comments |
Note: The molecular formula of the structure shown is C8H8O3 - which differs from the formula reported for the mass spectrum (C8H6D2O3) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H6D2O3 |
| InChI |
InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3 |
| InChIKey |
LXCFILQKKLGQFO-UHFFFAOYSA-N |
| Molecular Weight |
152.149 g/mol |
| SMILES |
Oc1ccc(cc1)C(=O)OC |
| SPLASH |
splash10-00di-6900000000-5843c08f10399bdf11d9 |
| Synonyms |
Benzoic acid, 4-hydroxy-, methyl ester (D2)
Benzoic acid, p-hydroxy-, methyl ester (D2)
4-(Methoxycarbonyl)phenol (D2) |
| Wiley ID |
1484758 |
