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(S)-2-((3ar,4R,6S,6as)-6-Hydroxymethyl-2,2-dimethyl-tetrahydro-cyclope nta[1,3]dioxol-4-yl)-3-((R)-1-phenyl-ethylamino)-propane-1,2-diol

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

(S)-2-((3ar,4R,6S,6as)-6-Hydroxymethyl-2,2-dimethyl-tetrahydro-cyclope nta[1,3]dioxol-4-yl)-3-((R)-1-phenyl-ethylamino)-propane-1,2-diol
SpectraBase Compound ID Lpv1OoMST9e
InChI InChI=1S/C20H31NO5/c1-13(14-7-5-4-6-8-14)21-11-20(24,12-23)16-9-15(10-22)17-18(16)26-19(2,3)25-17/h4-8,13,15-18,21-24H,9-12H2,1-3H3/t13-,15+,16-,17+,18-,20+/m1/s1
InChIKey MSJDNKFUQHGANO-NWYWEGMISA-N
Mol Weight 365.47 g/mol
Molecular Formula C20H31NO5
Exact Mass 365.220223 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JxV02cP8W23
Name (S)-2-((3ar,4R,6S,6as)-6-Hydroxymethyl-2,2-dimethyl-tetrahydro-cyclope nta[1,3]dioxol-4-yl)-3-((R)-1-phenyl-ethylamino)-propane-1,2-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.220223097 u
Formula C20H31NO5
InChI InChI=1S/C20H31NO5/c1-13(14-7-5-4-6-8-14)21-11-20(24,12-23)16-9-15(10-22)17-18(16)26-19(2,3)25-17/h4-8,13,15-18,21-24H,9-12H2,1-3H3/t13-,15+,16-,17+,18-,20+/m1/s1
InChIKey MSJDNKFUQHGANO-NWYWEGMISA-N
Molecular Weight 365.470 g/mol
SMILES [C@@]12([C@@](C[C@]([C@@]2(OC(O1)(C)C)[H])(CO)[H])([C@@](CN[C@@](C=1C=CC=CC1)(C)[H])(O)CO)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.825572