| SpectraBase Spectrum ID |
37xokcCdXtr |
| Name |
1-Hydroxy-2-(3-dimethylaminopropen-2-on-yl)[2.2]paracyclophane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.172878983 u |
| Formula |
C21H23NO2 |
| InChI |
InChI=1S/C21H23NO2/c1-22(2)14-13-19(23)20-17-9-7-15-3-5-16(6-4-15)8-10-18(12-11-17)21(20)24/h3-6,11-14,24H,7-10H2,1-2H3/b14-13+ |
| InChIKey |
RCIALUQBBGHOQX-BUHFOSPRSA-N |
| Molecular Weight |
321.420 g/mol |
| SMILES |
C=1(C(=C2CCC=3C=CC(CCC1C=C2)=CC3)O)C(\C=C\N(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950775 |
![1-Hydroxy-2-(3-dimethylaminopropen-2-on-yl)[2.2]paracyclophane](/api/spectrum/37xokcCdXtr/structure.png?h=300&w=458 "1-Hydroxy-2-(3-dimethylaminopropen-2-on-yl)[2.2]paracyclophane")
