| SpectraBase Spectrum ID |
FL24boB5emn |
| Name |
1H-Indene, 5-ethyl-2,3-dihydro-1,3-dimethyl-, cis-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
174.140850580 u |
| Formula |
C13H18 |
| InChI |
InChI=1S/C13H18/c1-4-11-5-6-12-9(2)7-10(3)13(12)8-11/h5-6,8-10H,4,7H2,1-3H3/t9-,10+/m0/s1 |
| InChIKey |
HNHMAHCNPANFDU-VHSXEESVSA-N |
| Molecular Weight |
174.287 g/mol |
| SMILES |
C12=C([C@@](C)(C[C@]2(C)[H])[H])C=CC(=C1)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920148 |
