| SpectraBase Spectrum ID |
6UXfIuPlvYu |
| Name |
(E)-3-(3-Isopropylphenyl)but-2-anol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
192.151415263 u |
| Formula |
C13H20O |
| InChI |
InChI=1S/C13H20O/c1-10(2)12-5-4-6-13(9-12)11(3)7-8-14/h4-6,9-11,14H,7-8H2,1-3H3/t11-/m0/s1 |
| InChIKey |
AEFIZZUZXWBUHO-NSHDSACASA-N |
| Molecular Weight |
192.302 g/mol |
| SMILES |
C1=C(C(C)C)C=CC=C1[C@](CCO)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827978 |
