| SpectraBase Spectrum ID |
1hS7fthLBBm |
| Name |
1,4-Hexanediol, 2-methyl-6-phenyl-, [S-(R*,R*)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.146329882 u |
| Formula |
C13H20O2 |
| InChI |
InChI=1S/C13H20O2/c1-11(10-14)9-13(15)8-7-12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3/t11-,13-/m0/s1 |
| InChIKey |
XGJYDCLWKSURAR-AAEUAGOBSA-N |
| Molecular Weight |
208.301 g/mol |
| SMILES |
C(C=1C=CC=CC1)C[C@@](C[C@@](CO)(C)[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824522 |
![1,4-Hexanediol, 2-methyl-6-phenyl-, [S-(R*,R*)]-](/api/spectrum/1hS7fthLBBm/structure.png?h=300&w=458 "1,4-Hexanediol, 2-methyl-6-phenyl-, [S-(R*,R*)]-")
