SpectraBase Compound ID | 1aqgj6JMiN2 |
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InChI | InChI=1S/C10H10FNO/c1-7(13)12-6-5-8-9(11)3-2-4-10(8)12/h2-4H,5-6H2,1H3 |
InChIKey | PZWFKLWAZBFTQY-UHFFFAOYSA-N |
Mol Weight | 179.19 g/mol |
Molecular Formula | C10H10FNO |
Exact Mass | 179.074642 g/mol |
SpectraBase Spectrum ID | FKgVMW9KUGt |
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Name | 4-Fluoro-2,3-dihydro-1H-indole, N-acetyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 179.074642108 u |
Formula | C10H10FNO |
InChI | InChI=1S/C10H10FNO/c1-7(13)12-6-5-8-9(11)3-2-4-10(8)12/h2-4H,5-6H2,1H3 |
InChIKey | PZWFKLWAZBFTQY-UHFFFAOYSA-N |
Molecular Weight | 179.194 g/mol |
SMILES | C1(F)=C2C(=CC=C1)N(CC2)C(C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.855866 |