| SpectraBase Spectrum ID |
Av3L23dj362 |
| Name |
4-Isopropylidene-2-carene (4-methylethylidene-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
176.156500644 u |
| Formula |
C13H20 |
| InChI |
InChI=1S/C13H20/c1-8(2)10-7-12-11(6-9(10)3)13(12,4)5/h6,11-12H,7H2,1-5H3 |
| InChIKey |
MLLZFMAHNKSJQS-UHFFFAOYSA-N |
| Molecular Weight |
176.303 g/mol |
| SMILES |
C12C(CC(C(=C2)C)=C(C)C)C1(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977872 |
![4-Isopropylidene-2-carene (4-methylethylidene-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene)](/api/spectrum/Av3L23dj362/structure.png?h=300&w=458 "4-Isopropylidene-2-carene (4-methylethylidene-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene)")
