| SpectraBase Spectrum ID |
5gTacThfT29 |
| Name |
Trans-1-(buta-2,3-dien-2-yl)-2-methyl-2-(phenylethynyl)cyclopentanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.151415263 u |
| Formula |
C18H20O |
| InChI |
InChI=1S/C18H20O/c1-4-15(2)18(19)13-8-12-17(18,3)14-11-16-9-6-5-7-10-16/h5-7,9-10,19H,1,8,12-13H2,2-3H3/t17-,18+/m1/s1 |
| InChIKey |
IVQZWPIVTWKAFO-MSOLQXFVSA-N |
| Molecular Weight |
252.357 g/mol |
| SMILES |
[C@]1([C@@](O)(C(=C=C)C)CCC1)(C)C#CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880769 |
