SpectraBase Compound ID | JaaufUsk1nx |
---|---|
InChI | InChI=1S/C18H21NO3/c19-12-15(20)13-22-18-9-5-4-8-16(18)17(21)11-10-14-6-2-1-3-7-14/h1-9,15,20H,10-13,19H2 |
InChIKey | HIGKMVIPYOFHBP-UHFFFAOYSA-N |
Mol Weight | 299.37 g/mol |
Molecular Formula | C18H21NO3 |
Exact Mass | 299.152144 g/mol |
SpectraBase Spectrum ID | FinoVNPKBQN |
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Name | N-Depropylpropafenone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 299.152143537 u |
Formula | C18H21NO3 |
InChI | InChI=1S/C18H21NO3/c19-12-15(20)13-22-18-9-5-4-8-16(18)17(21)11-10-14-6-2-1-3-7-14/h1-9,15,20H,10-13,19H2 |
InChIKey | HIGKMVIPYOFHBP-UHFFFAOYSA-N |
SMILES | C=1(C(=O)CCC=2C=CC=CC2)C(OCC(O)CN)=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.841546 |