| SpectraBase Compound ID | Fp8ja7VMv3W |
|---|---|
| InChI | InChI=1S/C10H13Cl/c1-8(2)10-6-4-3-5-9(10)7-11/h3-6,8H,7H2,1-2H3 |
| InChIKey | ABJGYUSFOIMJPT-UHFFFAOYSA-N |
| Mol Weight | 168.67 g/mol |
| Molecular Formula | C10H13Cl |
| Exact Mass | 168.070578 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IlIu0xaSV63 |
|---|---|
| Name | Benzene, (chloromethyl)(1-methylethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.070578119 u |
| Formula | C10H13Cl |
| InChI | InChI=1S/C10H13Cl/c1-8(2)10-6-4-3-5-9(10)7-11/h3-6,8H,7H2,1-2H3 |
| InChIKey | ABJGYUSFOIMJPT-UHFFFAOYSA-N |
| Molecular Weight | 168.667 g/mol |
| SMILES | C=1(C(CCl)=CC=CC1)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937199 |