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N-[(R)-1-Benzyloxy-2-{1R,5R,7R,8S)-3,3-dimethyl-8-methoxymethoxy-2,4,6-trioxabicyclo[3.3.0]octan-7-yl}-3-hydroxylprop-2-yl]trichloroacetamide

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

N-[(R)-1-Benzyloxy-2-{1R,5R,7R,8S)-3,3-dimethyl-8-methoxymethoxy-2,4,6-trioxabicyclo[3.3.0]octan-7-yl}-3-hydroxylprop-2-yl]trichloroacetamide
SpectraBase Compound ID KjXKSrpT9za
InChI InChI=1S/C21H28Cl3NO8/c1-19(2)32-15-14(30-12-28-3)16(31-17(15)33-19)20(10-26,25-18(27)21(22,23)24)11-29-9-13-7-5-4-6-8-13/h4-8,14-17,26H,9-12H2,1-3H3,(H,25,27)/t14-,15-,16+,17-,20-/m1/s1
InChIKey LUDDHVJGNAISGT-ISIBIEBGSA-N
Mol Weight 528.81 g/mol
Molecular Formula C21H28Cl3NO8
Exact Mass 527.08805 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 29mkdaleYrZ
Name N-[(R)-1-Benzyloxy-2-{1R,5R,7R,8S)-3,3-dimethyl-8-methoxymethoxy-2,4,6-trioxabicyclo[3.3.0]octan-7-yl}-3-hydroxylprop-2-yl]trichloroacetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 527.088049958 u
Formula C21H28Cl3NO8
InChI InChI=1S/C21H28Cl3NO8/c1-19(2)32-15-14(30-12-28-3)16(31-17(15)33-19)20(10-26,25-18(27)21(22,23)24)11-29-9-13-7-5-4-6-8-13/h4-8,14-17,26H,9-12H2,1-3H3,(H,25,27)/t14-,15-,16+,17-,20-/m1/s1
InChIKey LUDDHVJGNAISGT-ISIBIEBGSA-N
Molecular Weight 528.813 g/mol
SMILES [C@]12([C@](O[C@@]([C@@]2(OCOC)[H])([C@](NC(C(Cl)(Cl)Cl)=O)(COCC2=CC=CC=C2)CO)[H])(OC(O1)(C)C)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929274