| SpectraBase Spectrum ID |
9RPRWUp13IC |
| Name |
Benzoic acid (1R,2S)-1-benzyloxymethyl-2,3-dihydroxy-propyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H20O5 |
| InChI |
InChI=1S/C18H20O5/c19-11-16(20)17(13-22-12-14-7-3-1-4-8-14)23-18(21)15-9-5-2-6-10-15/h1-10,16-17,19-20H,11-13H2/t16-,17+/m0/s1 |
| InChIKey |
MCSQRUBSANWVQG-DLBZAZTESA-N |
| Molecular Weight |
316.353 g/mol |
| SMILES |
O[C@@](CO)([C@](OC(=O)c1ccccc1)(COCc1ccccc1)[H])[H] |
| SPLASH |
splash10-002f-9000000000-9977eed234d98fc244b4 |
| Source of Spectrum |
QC-3-577-4 |
| Synonyms |
(1R,2S)-1-[(benzyloxy)methyl]-2,3-dihydroxypropyl benzoate
(2S,3S)-1-Benzyloxy-2-benzoyloxy-3,4-butanediol |
| Wiley ID |
883089 |
