SpectraBase Compound ID | I512VPb6rvK |
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InChI | InChI=1S/C19H29NO.ClH/c21-19(18-11-5-6-12-18,17-9-3-1-4-10-17)13-16-20-14-7-2-8-15-20;/h1,3-4,9-10,18,21H,2,5-8,11-16H2;1H |
InChIKey | WBCWFMFZMRFRLT-UHFFFAOYSA-N |
Mol Weight | 323.91 g/mol |
Molecular Formula | C19H30ClNO |
Exact Mass | 323.201592 g/mol |
SpectraBase Spectrum ID | KbfvFoBopO9 |
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Name | Cycrimine HC l inkbr |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 323.201592289 u |
Formula | C19H30ClNO |
InChI | InChI=1S/C19H29NO.ClH/c21-19(18-11-5-6-12-18,17-9-3-1-4-10-17)13-16-20-14-7-2-8-15-20;/h1,3-4,9-10,18,21H,2,5-8,11-16H2;1H |
InChIKey | WBCWFMFZMRFRLT-UHFFFAOYSA-N |
Molecular Weight | 323.908 g/mol |
SMILES | Cl.OC(C1CCCC1)(C1=CC=CC=C1)CCN1CCCCC1 |
Spectrum/Structure Validation Score (Raman) | 0.945498 |