| SpectraBase Spectrum ID |
63s9nb6cB6X |
| Name |
11-Chloranyl-7-methylsulfanyl-bicyclo[5.3.1]undeca-1(10),8-diene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.073949421 u |
| Formula |
C12H17ClS |
| InChI |
InChI=1S/C12H17ClS/c1-14-12-8-4-2-3-6-10(11(12)13)7-5-9-12/h5,7,9,11H,2-4,6,8H2,1H3 |
| InChIKey |
AMIYGGCPDOSBLL-UHFFFAOYSA-N |
| Molecular Weight |
228.781 g/mol |
| SMILES |
C12(C(C(CCCCC2)=CC=C1)Cl)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834923 |
![11-Chloranyl-7-methylsulfanyl-bicyclo[5.3.1]undeca-1(10),8-diene](/api/spectrum/63s9nb6cB6X/structure.png?h=300&w=458 "11-Chloranyl-7-methylsulfanyl-bicyclo[5.3.1]undeca-1(10),8-diene")
