| SpectraBase Spectrum ID |
EtXLzYhRGNN |
| Name |
2C-E-m (ho- N-Acetyl-) iso-2 prop. P1052 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.173272904 u |
| Formula |
C17H25NO5 |
| InChI |
InChI=1S/C17H25NO5/c1-5-7-17(21)23-16(10-18-11(3)19)13-9-14(20)12(6-2)8-15(13)22-4/h8-9,16,20H,5-7,10H2,1-4H3,(H,18,19) |
| InChIKey |
GLMXUIVMAMBEQW-UHFFFAOYSA-N |
| Molecular Weight |
323.389 g/mol |
| SMILES |
CCCC(OC(C=1C(OC)=CC(=C(O)C1)CC)CNC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846061 |
