| SpectraBase Compound ID | IsdUPoyLGQR |
|---|---|
| InChI | InChI=1S/C13H14/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12/h3,5,8-9H,1-2,4,6-7H2 |
| InChIKey | LXGMDFFCQWTZCU-UHFFFAOYSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C13H14 |
| Exact Mass | 170.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KPQBWXcKYag |
|---|---|
| Name | 1,2-Dehydro-as-hydrindacene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.109550451 u |
| Formula | C13H14 |
| InChI | InChI=1S/C13H14/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12/h3,5,8-9H,1-2,4,6-7H2 |
| InChIKey | LXGMDFFCQWTZCU-UHFFFAOYSA-N |
| Molecular Weight | 170.255 g/mol |
| SMILES | C1=C2C=CCC2=C2C(=C1)CCCC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951962 |