| SpectraBase Spectrum ID |
8AySgp4SiCY |
| Name |
2-Buten-1-one, 1-(7,7-dimethyl-3-methylenebicyclo[4.1.0]hept-2-yl)-3-methyl-, [1R-(1.alpha.,2.alpha.,6.alpha.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.167065327 u |
| Formula |
C15H22O |
| InChI |
InChI=1S/C15H22O/c1-9(2)8-12(16)13-10(3)6-7-11-14(13)15(11,4)5/h8,11,13-14H,3,6-7H2,1-2,4-5H3 |
| InChIKey |
BFJPJDIAJRUDJY-UHFFFAOYSA-N |
| Molecular Weight |
218.340 g/mol |
| SMILES |
C1(C2C(C(C=C(C)C)=O)C(=C)CCC12)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882909 |
![2-Buten-1-one, 1-(7,7-dimethyl-3-methylenebicyclo[4.1.0]hept-2-yl)-3-methyl-, [1R-(1.alpha.,2.alpha.,6.alpha.)]-](/api/spectrum/8AySgp4SiCY/structure.png?h=300&w=458 "2-Buten-1-one, 1-(7,7-dimethyl-3-methylenebicyclo[4.1.0]hept-2-yl)-3-methyl-, [1R-(1.alpha.,2.alpha.,6.alpha.)]-")
