![[(1S)-1-methylallyl]benzene](/api/spectrum/HrrRYYp3riu/structure.png?h=300&w=458 "[(1S)-1-methylallyl]benzene")
| SpectraBase Compound ID | 3MCdh4QAemH |
|---|---|
| InChI | InChI=1S/C10H12/c1-3-9(2)10-7-5-4-6-8-10/h3-9H,1H2,2H3/t9-/m0/s1 |
| InChIKey | CHPXLAPHLQIKCA-VIFPVBQESA-N |
| Mol Weight | 132.21 g/mol |
| Molecular Formula | C10H12 |
| Exact Mass | 132.0939 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HrrRYYp3riu |
|---|---|
| Name | [(1S)-1-Methylallyl]benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.093900386 u |
| Formula | C10H12 |
| InChI | InChI=1S/C10H12/c1-3-9(2)10-7-5-4-6-8-10/h3-9H,1H2,2H3/t9-/m0/s1 |
| InChIKey | CHPXLAPHLQIKCA-VIFPVBQESA-N |
| Molecular Weight | 132.206 g/mol |
| SMILES | C(=C)[C@@](C=1C=CC=CC1)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985006 |