| SpectraBase Spectrum ID |
8A3FvKvyZQd |
| Name |
1,4-Ethanonaphthalene, 1,2,3,4-tetrahydro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
158.109550451 u |
| Formula |
C12H14 |
| InChI |
InChI=1S/C12H14/c1-2-4-12-10-7-5-9(6-8-10)11(12)3-1/h1-4,9-10H,5-8H2/t9-,10+ |
| InChIKey |
ORCQJRXQASSNAQ-AOOOYVTPSA-N |
| Molecular Weight |
158.244 g/mol |
| SMILES |
C12=C([C@]3(CC[C@@]2(CC3)[H])[H])C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888998 |
