| SpectraBase Compound ID | 5L0PzxtUEIc |
|---|---|
| InChI | InChI=1S/C14H14ClNO/c1-16-12-5-3-2-4-10(12)14(17)11-8-9(15)6-7-13(11)16/h6-8H,2-5H2,1H3 |
| InChIKey | UOHXCUZYGQWNSY-UHFFFAOYSA-N |
| Mol Weight | 247.72 g/mol |
| Molecular Formula | C14H14ClNO |
| Exact Mass | 247.076392 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IDsL3mf0sBG |
|---|---|
| Name | Tetrazepam-artifact 1 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.076391774 u |
| Formula | C14H14ClNO |
| InChI | InChI=1S/C14H14ClNO/c1-16-12-5-3-2-4-10(12)14(17)11-8-9(15)6-7-13(11)16/h6-8H,2-5H2,1H3 |
| InChIKey | UOHXCUZYGQWNSY-UHFFFAOYSA-N |
| Molecular Weight | 247.725 g/mol |
| SMILES | c1(ccc2c(c1)C(=O)C1=C(N2C)CCCC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.816467 |