| SpectraBase Spectrum ID |
GluM4j9akRL |
| Name |
tma-2-m (o-Demethyl-) isomer-2 3ac P878 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
337.152537459 u |
| Formula |
C17H23NO6 |
| InChI |
InChI=1S/C17H23NO6/c1-10(18(11(2)19)12(3)20)7-14-8-17(24-13(4)21)16(23-6)9-15(14)22-5/h8-10H,7H2,1-6H3 |
| InChIKey |
FTEAJWJWUSYABS-UHFFFAOYSA-N |
| Molecular Weight |
337.372 g/mol |
| SMILES |
C=1(C=C(CC(N(C(C)=O)C(C)=O)C)C(=CC1OC)OC)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860597 |
