| SpectraBase Spectrum ID |
Eho4rn18mwX |
| Name |
1-Benzoxirene, 1A-[2-(2-methyl-1,3-dioxolan-2-yl)-1-ethenyl]perhydro-2,2,5A-trimethyl |
| 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/c1-12(2)6-5-7-13(3)15(12,18-13)9-8-14(4)16-10-11-17-14/h8-9H,5-7,10-11H2,1-4H3/b9-8+ |
| InChIKey |
MOWIVZKKHGZHPU-CMDGGOBGSA-N |
| Molecular Weight |
252.354 g/mol |
| SMILES |
C1CCC(C2(C1(C)O2)\C=C\C1(C)OCCO1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967003 |
![1-Benzoxirene, 1a-[2-(2-methyl-1,3-dioxolan-2-yl)-1-ethenyl]perhydro-2,2,5a-trimethyl](/api/spectrum/Eho4rn18mwX/structure.png?h=300&w=458 "1-Benzoxirene, 1a-[2-(2-methyl-1,3-dioxolan-2-yl)-1-ethenyl]perhydro-2,2,5a-trimethyl")
