| SpectraBase Spectrum ID |
AhQJOUoJKk |
| Name |
Benzoic acid (1R,2R,3R)-2,3-dihydroxy-cyclohexyl ester |
| Alternate Name(s) |
(1R,2R,3R)-2,3-dihydroxycyclohexyl benzoate
3-Benzoyloxy-1,2-cyclohexanediol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16O4 |
| InChI |
InChI=1S/C13H16O4/c14-10-7-4-8-11(12(10)15)17-13(16)9-5-2-1-3-6-9/h1-3,5-6,10-12,14-15H,4,7-8H2/t10-,11-,12-/m1/s1 |
| InChIKey |
YUSPRVLRODITEX-IJLUTSLNSA-N |
| Molecular Weight |
236.267 g/mol |
| SMILES |
O[C@@]1(CCC[C@]([C@@]1(O)[H])(OC(=O)c1ccccc1)[H])[H] |
| SPLASH |
splash10-0udi-0900000000-addaa8224c4f62ce9dfd |
| Source of Spectrum |
QC-3-579-15 |
| Wiley ID |
883078 |
