| SpectraBase Spectrum ID |
9GkwFSxvdaw |
| Name |
2-[(E)-1-Chloranyl-4-methyl-3-oxidanyl-3-propan-2-yl-pent-1-enyl]phenol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.123007614 u |
| Formula |
C15H21ClO2 |
| InChI |
InChI=1S/C15H21ClO2/c1-10(2)15(18,11(3)4)9-13(16)12-7-5-6-8-14(12)17/h5-11,17-18H,1-4H3/b13-9+ |
| InChIKey |
YKRJKFYVLQBGIP-UKTHLTGXSA-N |
| SMILES |
C=1(\C(=C/C(C(C)C)(C(C)C)O)Cl)C(O)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845641 |
![2-[(E)-1-chloranyl-4-methyl-3-oxidanyl-3-propan-2-yl-pent-1-enyl]phenol](/api/spectrum/9GkwFSxvdaw/structure.png?h=300&w=458 "2-[(E)-1-chloranyl-4-methyl-3-oxidanyl-3-propan-2-yl-pent-1-enyl]phenol")
