| SpectraBase Compound ID | E6MOaODqNWJ |
|---|---|
| InChI | InChI=1S/C13H17Cl/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h4-9H,10H2,1-3H3/b5-4+ |
| InChIKey | XKBYKMOBMSBXJP-SNAWJCMRSA-N |
| Mol Weight | 208.73 g/mol |
| Molecular Formula | C13H17Cl |
| Exact Mass | 208.101878 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4FVI2If7FaR |
|---|---|
| Name | Benzene, 1-tert-butyl-4-(3-chloropropenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.101878247 u |
| Formula | C13H17Cl |
| InChI | InChI=1S/C13H17Cl/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h4-9H,10H2,1-3H3/b5-4+ |
| InChIKey | XKBYKMOBMSBXJP-SNAWJCMRSA-N |
| Molecular Weight | 208.732 g/mol |
| SMILES | C1=C(C=CC(=C1)C(C)(C)C)\C=C\CCl |
| Spectrum/Structure Validation Score (Raman) | 0.893018 |