| SpectraBase Spectrum ID |
63e9bp9mOS7 |
| Name |
12,13-Dihydro-5H-benzocyclohepta[6,7-A]azulene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.125200515 u |
| Formula |
C19H16 |
| InChI |
InChI=1S/C19H16/c1-2-8-15-13-19-16-11-5-4-7-14(16)9-6-12-18(19)17(15)10-3-1/h1-7,10-12H,8-9,13H2 |
| InChIKey |
ZPRCLLQTZOTBCY-UHFFFAOYSA-N |
| Molecular Weight |
244.337 g/mol |
| SMILES |
C12=C(C=3C=CC=CCC3C2)C=CCC=2C1=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939735 |
![12,13-Dihydro-5H-benzocyclohepta[6,7-a]azulene](/api/spectrum/63e9bp9mOS7/structure.png?h=300&w=458 "12,13-Dihydro-5H-benzocyclohepta[6,7-a]azulene")
