| SpectraBase Spectrum ID |
BBz6pv54JWA |
| Name |
1H-Inden-1-one, 2,4,5,6,7,7A-hexahydro-4,4,7A-trimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
178.135765199 u |
| Formula |
C12H18O |
| InChI |
InChI=1S/C12H18O/c1-11(2)7-4-8-12(3)9(11)5-6-10(12)13/h5H,4,6-8H2,1-3H3 |
| InChIKey |
GXSVQZVTXJFCJO-UHFFFAOYSA-N |
| Molecular Weight |
178.275 g/mol |
| SMILES |
C1(=O)CC=C2C1(C)CCCC2(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873157 |
