| SpectraBase Spectrum ID |
HH4NZUL0fpq |
| Name |
Bicyclo[4.1.0]heptan-2-one, 3,4,4-trimethyl-3-(3-methyl-1,3-butadienyl)-, [1.alpha.,3.alpha.(Z),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/c1-10(2)6-7-15(5)13(16)12-8-11(12)9-14(15,3)4/h6-7,11-12H,1,8-9H2,2-5H3/b7-6-/t11-,12-,15+/m1/s1 |
| InChIKey |
MEZSYJGEKJZHDN-SAUCKXLSSA-N |
| Molecular Weight |
218.340 g/mol |
| SMILES |
[C@@]12([C@](CC([C@](C2=O)(\C=C/C(=C)C)C)(C)C)([H])C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833006 |
![Bicyclo[4.1.0]heptan-2-one, 3,4,4-trimethyl-3-(3-methyl-1,3-butadienyl)-, [1.alpha.,3.alpha.(Z),6.alpha.]-(.+-.)-](/api/spectrum/HH4NZUL0fpq/structure.png?h=300&w=458 "Bicyclo[4.1.0]heptan-2-one, 3,4,4-trimethyl-3-(3-methyl-1,3-butadienyl)-, [1.alpha.,3.alpha.(Z),6.alpha.]-(.+-.)-")
