| SpectraBase Compound ID | 9Brx13JTfSS |
|---|---|
| InChI | InChI=1S/C10H14/c1-3-5-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3 |
| InChIKey | QUEBYVKXYIKVSO-UHFFFAOYSA-N |
| Mol Weight | 134.22 g/mol |
| Molecular Formula | C10H14 |
| Exact Mass | 134.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9gr0WoA3uW6 |
|---|---|
| Name | Benzene, 1-methyl-3-propyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 134.109550451 u |
| Formula | C10H14 |
| InChI | InChI=1S/C10H14/c1-3-5-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3 |
| InChIKey | QUEBYVKXYIKVSO-UHFFFAOYSA-N |
| Molecular Weight | 134.222 g/mol |
| SMILES | C1=C(C=C(C=C1)CCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93893 |