| SpectraBase Spectrum ID |
7G9cfbLab7U |
| Name |
(4S,5R)-(5-Benzyloxymethyl-2,2-dimethyl[1,3]dioxolan-4-ylmethyl)-(2,2-dimethoxyethyl)carbamic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.210052335 u |
| Formula |
C20H31NO7 |
| InChI |
InChI=1S/C20H31NO7/c1-20(2)27-16(11-21(19(22)25-5)12-18(23-3)24-4)17(28-20)14-26-13-15-9-7-6-8-10-15/h6-10,16-18H,11-14H2,1-5H3/t16-,17+/m0/s1 |
| InChIKey |
IGDHGRWVYSUEBL-DLBZAZTESA-N |
| Molecular Weight |
397.468 g/mol |
| SMILES |
[C@@]1(OC(C)(C)O[C@@]1(COCC1=CC=CC=C1)[H])(CN(C(=O)OC)CC(OC)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837011 |
![(4S,5R)-(5-Benzyloxymethyl-2,2-dimethyl[1,3]dioxolan-4-ylmethyl)-(2,2-dimethoxyethyl)carbamic acid methyl ester](/api/spectrum/7G9cfbLab7U/structure.png?h=300&w=458 "(4S,5R)-(5-Benzyloxymethyl-2,2-dimethyl[1,3]dioxolan-4-ylmethyl)-(2,2-dimethoxyethyl)carbamic acid methyl ester")
