| SpectraBase Compound ID | LSDKmAhHqIO |
|---|---|
| InChI | InChI=1S/C10H13N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h1-2,5,7,11H,3-4,6,8H2 |
| InChIKey | MZBVNYACSSGXID-UHFFFAOYSA-N |
| Mol Weight | 147.22 g/mol |
| Molecular Formula | C10H13N |
| Exact Mass | 147.104799 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6XFdM9OrzOj |
|---|---|
| Name | 2,3,4,5-Tetrahydro-1H-1-benzazepine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 147.104799423 u |
| Formula | C10H13N |
| InChI | InChI=1S/C10H13N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h1-2,5,7,11H,3-4,6,8H2 |
| InChIKey | MZBVNYACSSGXID-UHFFFAOYSA-N |
| Molecular Weight | 147.221 g/mol |
| SMILES | C=12NCCCCC1C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977756 |