| SpectraBase Spectrum ID |
Bq5dm3TlU6L |
| Name |
(1R,3as,4R,7ar)-1,3A,4,7A-Tetramethyl-2,3,3A,4,5,7A-hexahydro-1H-4-indene |
| 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/c1-10-6-5-8-12(3)11(2)7-9-13(10,12)4/h5,8,10-11H,6-7,9H2,1-4H3/t10-,11-,12+,13+/m1/s1 |
| InChIKey |
YVVZVKUDOXWJDV-NDBYEHHHSA-N |
| Molecular Weight |
178.319 g/mol |
| SMILES |
[C@@]12([C@@](C=CC[C@]2(C)[H])([C@](C)(CC1)[H])C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85404 |
