| SpectraBase Spectrum ID |
8zhunfAbiFV |
| Name |
(2S,3R)-1,2-Dihydroxubut-3-yl p-methoxybenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.099773610 u |
| Formula |
C12H16O5 |
| InChI |
InChI=1S/C12H16O5/c1-8(11(14)7-13)17-12(15)9-3-5-10(16-2)6-4-9/h3-6,8,11,13-14H,7H2,1-2H3/t8-,11+/m1/s1 |
| InChIKey |
VBOQZFPGZRRETJ-KCJUWKMLSA-N |
| Molecular Weight |
240.255 g/mol |
| SMILES |
C(O[C@@]([C@@](O)(CO)[H])(C)[H])(C=1C=CC(=CC1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941353 |
