| SpectraBase Spectrum ID |
HT9D6MaAD56 |
| Name |
1-Ethyl-2,3,4,5,6-pentamethylbicyclo[2.2.0]hexa-2,5-diene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
176.156500644 u |
| Formula |
C13H20 |
| InChI |
InChI=1S/C13H20/c1-7-13-10(4)8(2)12(13,6)9(3)11(13)5/h7H2,1-6H3 |
| InChIKey |
FIQILMJUXAJRDV-UHFFFAOYSA-N |
| Molecular Weight |
176.303 g/mol |
| SMILES |
C12(C(CC)(C(=C2C)C)C(=C1C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965729 |
![1-Ethyl-2,3,4,5,6-pentamethylbicyclo[2.2.0]hexa-2,5-diene](/api/spectrum/HT9D6MaAD56/structure.png?h=300&w=458 "1-Ethyl-2,3,4,5,6-pentamethylbicyclo[2.2.0]hexa-2,5-diene")
