| SpectraBase Spectrum ID |
AAN5v0m8nUd |
| Name |
1H-Indene, 1-ethylidene-3A,4,5,7A-tetrahydro-6-methyl-, (1E,3A.alpha.,6A.alpha.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
160.125200515 u |
| Formula |
C12H16 |
| InChI |
InChI=1S/C12H16/c1-3-10-6-7-11-5-4-9(2)8-12(10)11/h3,6-8,11-12H,4-5H2,1-2H3/b10-3+/t11-,12+/m1/s1 |
| InChIKey |
XAUGDSSPGQBBAH-BKAIQDJRSA-N |
| Molecular Weight |
160.260 g/mol |
| SMILES |
[C@]12(\C(C=C[C@]2(CCC(=C1)C)[H])=C\C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889016 |
