| SpectraBase Compound ID | 1C04JP7Judh |
|---|---|
| InChI | InChI=1S/C8H10N2O2/c1-12-8(11)10-9-7-5-3-2-4-6-7/h2-6,9H,1H3,(H,10,11) |
| InChIKey | HSYGEVWCBHIYFL-UHFFFAOYSA-N |
| Mol Weight | 166.18 g/mol |
| Molecular Formula | C8H10N2O2 |
| Exact Mass | 166.074228 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 57aDggLc3lM |
|---|---|
| Name | Methyl 3-phenylcarbazate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.074227568 u |
| Formula | C8H10N2O2 |
| InChI | InChI=1S/C8H10N2O2/c1-12-8(11)10-9-7-5-3-2-4-6-7/h2-6,9H,1H3,(H,10,11) |
| InChIKey | HSYGEVWCBHIYFL-UHFFFAOYSA-N |
| Molecular Weight | 166.180 g/mol |
| SMILES | C(NNC1=CC=CC=C1)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952718 |