| SpectraBase Spectrum ID |
Ld1LNHA8CXl |
| Name |
2,2-Dichloro-1,2,3,4,5,6-hexahydrobenzo[E]azulene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.047255851 u |
| Formula |
C14H14Cl2 |
| InChI |
InChI=1S/C14H14Cl2/c15-14(16)8-11-6-3-5-10-4-1-2-7-12(10)13(11)9-14/h1-2,4,7H,3,5-6,8-9H2 |
| InChIKey |
NJNWSQWMYBFJFV-UHFFFAOYSA-N |
| Molecular Weight |
253.172 g/mol |
| SMILES |
C12=C(CC(C2)(Cl)Cl)CCCC=2C1=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943839 |
![2,2-Dichloro-1,2,3,4,5,6-hexahydrobenzo[e]azulene](/api/spectrum/Ld1LNHA8CXl/structure.png?h=300&w=458 "2,2-Dichloro-1,2,3,4,5,6-hexahydrobenzo[e]azulene")
