| SpectraBase Spectrum ID |
4VuLjt43wgR |
| Name |
(2E)-5-[(1rs,4S)-1,4-Dihydroxy-2,6,6-trimethylcyclohex-2-enyl]-3-methyl-2-penten-4-ynol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.156894565 u |
| Formula |
C15H22O3 |
| InChI |
InChI=1S/C15H22O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h6,9,13,16-18H,8,10H2,1-4H3/b11-6+/t13-,15?/m1/s1 |
| InChIKey |
GKOZUGVAGBCEQL-PTHPMJRESA-N |
| Molecular Weight |
250.338 g/mol |
| SMILES |
C1(C#C\C(=C\CO)C)(C(=C[C@](CC1(C)C)(O)[H])C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859776 |
![(2E)-5-[(1rs,4S)-1,4-Dihydroxy-2,6,6-trimethylcyclohex-2-enyl]-3-methyl-2-penten-4-ynol](/api/spectrum/4VuLjt43wgR/structure.png?h=300&w=458 "(2E)-5-[(1rs,4S)-1,4-Dihydroxy-2,6,6-trimethylcyclohex-2-enyl]-3-methyl-2-penten-4-ynol")
