SpectraBase Compound ID | 5AH3oY04Y4z |
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InChI | InChI=1S/C23H29NO.ClH/c1-2-22(25)23(20-12-6-3-7-13-20,21-14-8-4-9-15-21)16-19-24-17-10-5-11-18-24;/h3-4,6-9,12-15H,2,5,10-11,16-19H2,1H3;1H |
InChIKey | BYFNKPUNAMNENO-UHFFFAOYSA-N |
Mol Weight | 371.95 g/mol |
Molecular Formula | C23H30ClNO |
Exact Mass | 371.201592 g/mol |
SpectraBase Spectrum ID | BznjuHfJcY2 |
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Name | Norpipanone HC l inkbr |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 371.201592289 u |
Formula | C23H30ClNO |
InChI | InChI=1S/C23H29NO.ClH/c1-2-22(25)23(20-12-6-3-7-13-20,21-14-8-4-9-15-21)16-19-24-17-10-5-11-18-24;/h3-4,6-9,12-15H,2,5,10-11,16-19H2,1H3;1H |
InChIKey | BYFNKPUNAMNENO-UHFFFAOYSA-N |
Molecular Weight | 371.952 g/mol |
SMILES | C1=CC=CC(C(C=2C=CC=CC2)(CCN2CCCCC2)C(=O)CC)=C1.Cl |
Spectrum/Structure Validation Score (Raman) | 0.982616 |