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[1,3]Dioxolo[4,5-d]isoxazol-5-one, 3-(2,2-dimethyl-1,3-dioxolan-4-yl)tetrahydro-2-(phenylmethyl)-, [3S-[3.alpha.(R*),3a.alpha.,6a.alpha.]]-
SpectraBase Compound ID Bp1afPMqEjm
InChI InChI=1S/C16H19NO6/c1-16(2)19-9-11(22-16)12-13-14(21-15(18)20-13)23-17(12)8-10-6-4-3-5-7-10/h3-7,11-14H,8-9H2,1-2H3/t11?,12-,13-,14+/m0/s1
InChIKey HXQFIMBKERZHTA-PBNFFQIGSA-N
Mol Weight 321.33 g/mol
Molecular Formula C16H19NO6
Exact Mass 321.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K6Fzbe0T4eJ
Name [1,3]Dioxolo[4,5-d]isoxazol-5-one, 3-(2,2-dimethyl-1,3-dioxolan-4-yl)tetrahydro-2-(phenylmethyl)-, [3S-[3.alpha.(R*),3a.alpha.,6a.alpha.]]-
CAS Registry Number 91190-39-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO6
InChI InChI=1S/C16H19NO6/c1-16(2)19-9-11(22-16)12-13-14(21-15(18)20-13)23-17(12)8-10-6-4-3-5-7-10/h3-7,11-14H,8-9H2,1-2H3/t11?,12-,13-,14+/m0/s1
InChIKey HXQFIMBKERZHTA-PBNFFQIGSA-N
Molecular Weight 321.329 g/mol
SMILES [C@]12([C@](OC(O2)=O)(ON([C@]1(C1OC(C)(C)OC1)[H])Cc1ccccc1)[H])[H]
SPLASH splash10-0006-9200000000-f0acdcbbd627d9d6855f
Source of Spectrum C-106-5602-0
Synonyms (3S,3aS,6aR)-2-benzyl-3-(2,2-dimethyl-1,3-dioxolan-4-yl)tetrahydro[1,3]dioxolo[4,5-d]isoxazol-5-one [3R-(3.alpha.(S*),3a.alpha.,6a.alpha.)]-3-(2,2-dimethyl-1,3-dioxolan-4-yl)tetrahydro-2-(phenylmethyl)-[1,3]-dioxolo[4,5-d]isoxazol-5-one
Wiley ID 1320841