SpectraBase Compound ID | 79kpdwroHIc |
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InChI | InChI=1S/C9H10N2O2/c1-6(12)11-8-5-3-2-4-7(8)9(10)13/h2-5H,1H3,(H2,10,13)(H,11,12) |
InChIKey | WFKPHYKFAOXUTI-UHFFFAOYSA-N |
Mol Weight | 178.19 g/mol |
Molecular Formula | C9H10N2O2 |
Exact Mass | 178.074228 g/mol |
SpectraBase Spectrum ID | JbdpbPmR8UR |
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Name | 2-Acetamidobenzamide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 178.074227568 u |
Formula | C9H10N2O2 |
InChI | InChI=1S/C9H10N2O2/c1-6(12)11-8-5-3-2-4-7(8)9(10)13/h2-5H,1H3,(H2,10,13)(H,11,12) |
InChIKey | WFKPHYKFAOXUTI-UHFFFAOYSA-N |
Molecular Weight | 178.191 g/mol |
SMILES | C(=O)(C=1C=CC=CC1NC(=O)C)N |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.851068 |