| SpectraBase Spectrum ID |
KxpQvDCPOjh |
| Name |
4-Formyl-7-hydroxy-1-[4-(3-methoxyphenyl)-1-piperazinyl]acetylamino]-2,2,6-trimethylindan |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
451.247106551 u |
| Formula |
C26H33N3O4 |
| InChI |
InChI=1S/C26H33N3O4/c1-17-12-18(16-30)21-14-26(2,3)25(23(21)24(17)32)27-22(31)15-28-8-10-29(11-9-28)19-6-5-7-20(13-19)33-4/h5-7,12-13,16,25,32H,8-11,14-15H2,1-4H3,(H,27,31) |
| InChIKey |
MYEPMFFTEGGJIX-UHFFFAOYSA-N |
| Molecular Weight |
451.567 g/mol |
| SMILES |
C12=C(CC(C2NC(CN2CCN(CC2)C2=CC(OC)=CC=C2)=O)(C)C)C(C=O)=CC(=C1O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85805 |
![4-Formyl-7-hydroxy-1-[4-(3-methoxyphenyl)-1-piperazinyl]acetylamino]-2,2,6-trimethylindan](/api/spectrum/KxpQvDCPOjh/structure.png?h=300&w=458 "4-Formyl-7-hydroxy-1-[4-(3-methoxyphenyl)-1-piperazinyl]acetylamino]-2,2,6-trimethylindan")
