| SpectraBase Spectrum ID |
HyenYhvTc1H |
| Name |
3-[3-(2-Bromo-4,5-methylenedioxyphenyl)propylamino]-5,5-dimethylcyclohex-2-en-1-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.078306569 u |
| Formula |
C18H22BrNO3 |
| InChI |
InChI=1S/C18H22BrNO3/c1-18(2)9-13(7-14(21)10-18)20-5-3-4-12-6-16-17(8-15(12)19)23-11-22-16/h6-8,20H,3-5,9-11H2,1-2H3 |
| InChIKey |
WQQBCMSJQYTNRM-UHFFFAOYSA-N |
| Molecular Weight |
380.282 g/mol |
| SMILES |
C1=C(CC(CC1=O)(C)C)NCCCC=1C(=CC2=C(C1)OCO2)Br |
![3-[3-(2-Bromo-4,5-methylenedioxyphenyl)propylamino]-5,5-dimethylcyclohex-2-en-1-one](/api/spectrum/HyenYhvTc1H/structure.png?h=300&w=458 "3-[3-(2-Bromo-4,5-methylenedioxyphenyl)propylamino]-5,5-dimethylcyclohex-2-en-1-one")
