| SpectraBase Spectrum ID |
7WgAKHKwHgS |
| Name |
1-Benzoxirene, 5A-[3-oxo-1-butenyl]perhydro-2-hydroxy-1A,5,5-trimethyl-, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.151809184 u |
| Formula |
C15H22O4 |
| InChI |
InChI=1S/C15H22O4/c1-10(16)6-9-15-13(3,4)8-7-12(18-11(2)17)14(15,5)19-15/h6,9,12H,7-8H2,1-5H3/b9-6+ |
| InChIKey |
DTLIHXBPFODSEI-RMKNXTFCSA-N |
| Molecular Weight |
266.337 g/mol |
| SMILES |
C(=O)(OC1CCC(C2(C1(C)O2)\C=C\C(C)=O)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916598 |
![1-Benzoxirene, 5a-[3-oxo-1-butenyl]perhydro-2-hydroxy-1a,5,5-trimethyl-, acetate](/api/spectrum/7WgAKHKwHgS/structure.png?h=300&w=458 "1-Benzoxirene, 5a-[3-oxo-1-butenyl]perhydro-2-hydroxy-1a,5,5-trimethyl-, acetate")
