| SpectraBase Spectrum ID |
Ep6zr8CAhOe |
| Name |
(2S)-2-(4-Methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)-5-oxo-2,5-dihydropyrrole-1-carboxylic acid benzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.121237330 u |
| Formula |
C18H19NO6 |
| InChI |
InChI=1S/C18H19NO6/c1-17-10-23-18(24-11-17,25-12-17)14-7-8-15(20)19(14)16(21)22-9-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3/t14-,17?,18?/m0/s1 |
| InChIKey |
RZMAOTJYKGBJOS-NNGSBXSVSA-N |
| Molecular Weight |
345.351 g/mol |
| SMILES |
[C@]1(N(C(C=C1)=O)C(OCC=1C=CC=CC1)=O)(C12OCC(CO2)(C)CO1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926115 |
![(2S)-2-(4-Methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)-5-oxo-2,5-dihydropyrrole-1-carboxylic acid benzyl ester](/api/spectrum/Ep6zr8CAhOe/structure.png?h=300&w=458 "(2S)-2-(4-Methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)-5-oxo-2,5-dihydropyrrole-1-carboxylic acid benzyl ester")
