| SpectraBase Spectrum ID |
K1i7PWISBHv |
| Name |
2-Butanone, 4-[5-(acetyloxy)-2,2-dimethyl-6-methylenecyclohexylidene]-, (E)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.156894565 u |
| Formula |
C15H22O3 |
| InChI |
InChI=1S/C15H22O3/c1-10(16)6-7-13-11(2)14(18-12(3)17)8-9-15(13,4)5/h7,14H,2,6,8-9H2,1,3-5H3/b13-7- |
| InChIKey |
HVSHHDHHAKRGHT-QPEQYQDCSA-N |
| Molecular Weight |
250.338 g/mol |
| SMILES |
C1(\C(C(CCC1OC(=O)C)(C)C)=C\CC(=O)C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972367 |
![2-Butanone, 4-[5-(acetyloxy)-2,2-dimethyl-6-methylenecyclohexylidene]-, (E)-(.+-.)-](/api/spectrum/K1i7PWISBHv/structure.png?h=300&w=458 "2-Butanone, 4-[5-(acetyloxy)-2,2-dimethyl-6-methylenecyclohexylidene]-, (E)-(.+-.)-")
