| SpectraBase Spectrum ID |
3oKryO9Nlw1 |
| Name |
Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, endo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
178.172150708 u |
| Formula |
C13H22 |
| InChI |
InChI=1S/C13H22/c1-9(2)7-12-10-5-6-11(8-10)13(12,3)4/h7,10-12H,5-6,8H2,1-4H3 |
| InChIKey |
AGHZGSSLGKVHKD-UHFFFAOYSA-N |
| Molecular Weight |
178.319 g/mol |
| SMILES |
C1(C(C2CC1CC2)(C)C)C=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983394 |
![Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, endo-](/api/spectrum/3oKryO9Nlw1/structure.png?h=300&w=458 "Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, endo-")
