| SpectraBase Spectrum ID |
2N2JHbuK3DN |
| Name |
(S)-Chroman-4-ol acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
192.078644243 u |
| Formula |
C11H12O3 |
| InChI |
InChI=1S/C11H12O3/c1-8(12)14-11-6-7-13-10-5-3-2-4-9(10)11/h2-5,11H,6-7H2,1H3/t11-/m0/s1 |
| InChIKey |
HKQCYAMUEWMZKL-NSHDSACASA-N |
| Molecular Weight |
192.214 g/mol |
| SMILES |
C1=2[C@@](OC(=O)C)(CCOC2C=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910081 |
