| SpectraBase Compound ID | 8ZE4IZ8p07f |
|---|---|
| InChI | InChI=1S/C16H14ClNO2/c1-11(19)18(2)13-8-9-15(17)14(10-13)16(20)12-6-4-3-5-7-12/h3-10H,1-2H3 |
| InChIKey | MJXANLSOZANPMQ-UHFFFAOYSA-N |
| Mol Weight | 287.75 g/mol |
| Molecular Formula | C16H14ClNO2 |
| Exact Mass | 287.071306 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DQVBlp5IvmY |
|---|---|
| Name | Diazepam hyac @P818 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.071306393 u |
| Formula | C16H14ClNO2 |
| InChI | InChI=1S/C16H14ClNO2/c1-11(19)18(2)13-8-9-15(17)14(10-13)16(20)12-6-4-3-5-7-12/h3-10H,1-2H3 |
| InChIKey | MJXANLSOZANPMQ-UHFFFAOYSA-N |
| SMILES | C=1(C=CC=CC1)C(C=1C(Cl)=CC=C(C1)N(C(C)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933553 |