| SpectraBase Spectrum ID |
I2Vu1GQrTv2 |
| Name |
6-(4-Chlorophenyl)-2,3,6,7,8,9-hexahydro-[1,4]dioxin[2,3-G]isoquinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.086956457 u |
| Formula |
C17H16ClNO2 |
| InChI |
InChI=1S/C17H16ClNO2/c18-13-3-1-11(2-4-13)17-14-10-16-15(20-7-8-21-16)9-12(14)5-6-19-17/h1-4,9-10,17,19H,5-8H2 |
| InChIKey |
VJKFUDOPNYBESG-UHFFFAOYSA-N |
| SMILES |
C1=2C(NCCC2C=C2OCCOC2=C1)C=1C=CC(=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953121 |
![6-(4-Chlorophenyl)-2,3,6,7,8,9-hexahydro-[1,4]dioxin[2,3-g]isoquinoline](/api/spectrum/I2Vu1GQrTv2/structure.png?h=300&w=458 "6-(4-Chlorophenyl)-2,3,6,7,8,9-hexahydro-[1,4]dioxin[2,3-g]isoquinoline")
