| SpectraBase Spectrum ID |
1KJY3p0ELRH |
| Name |
2-Cyclohexen-1-one, 4-[3-(acetyloxy)butyl]-3,5,5-trimethyl-, (R*,R*)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.172544630 u |
| Formula |
C15H24O3 |
| InChI |
InChI=1S/C15H24O3/c1-10-8-13(17)9-15(4,5)14(10)7-6-11(2)18-12(3)16/h8,11,14H,6-7,9H2,1-5H3/t11-,14+/m1/s1 |
| InChIKey |
CHDWWZDJMGTCDC-RISCZKNCSA-N |
| Molecular Weight |
252.354 g/mol |
| SMILES |
C=1([C@@](C(C)(C)CC(C1)=O)(CC[C@](OC(=O)C)(C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950359 |
![2-Cyclohexen-1-one, 4-[3-(acetyloxy)butyl]-3,5,5-trimethyl-, (R*,R*)-(.+-.)-](/api/spectrum/1KJY3p0ELRH/structure.png?h=300&w=458 "2-Cyclohexen-1-one, 4-[3-(acetyloxy)butyl]-3,5,5-trimethyl-, (R*,R*)-(.+-.)-")
