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[1,3]Dioxolo[4,5-d]isoxazol-5-one, tetrahydro-2-(phenylmethyl)-3-(2,2,5-trimethyl-1,3-dioxolan-4-yl)-, [3.alpha.-(4R*,5R*),3a.alpha.,6a.alpha.]-(.+-.)-

View entire compound with spectra: 1 MS (GC)

[1,3]Dioxolo[4,5-d]isoxazol-5-one, tetrahydro-2-(phenylmethyl)-3-(2,2,5-trimethyl-1,3-dioxolan-4-yl)-, [3.alpha.-(4R*,5R*),3a.alpha.,6a.alpha.]-(.+-.)-
SpectraBase Compound ID BhjQEWcgHqL
InChI InChI=1S/C17H21NO6/c1-10-13(23-17(2,3)22-10)12-14-15(21-16(19)20-14)24-18(12)9-11-7-5-4-6-8-11/h4-8,10,12-15H,9H2,1-3H3/t10-,12-,13+,14+,15-/m1/s1
InChIKey VDVAKVGUWAPXDD-JSFFLRCESA-N
Mol Weight 335.36 g/mol
Molecular Formula C17H21NO6
Exact Mass 335.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BuoGu8SXVQu
Name [1,3]Dioxolo[4,5-d]isoxazol-5-one, tetrahydro-2-(phenylmethyl)-3-(2,2,5-trimethyl-1,3-dioxolan-4-yl)-, [3.alpha.-(4R*,5R*),3a.alpha.,6a.alpha.]-(.+-.)-
CAS Registry Number 91237-27-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO6
InChI InChI=1S/C17H21NO6/c1-10-13(23-17(2,3)22-10)12-14-15(21-16(19)20-14)24-18(12)9-11-7-5-4-6-8-11/h4-8,10,12-15H,9H2,1-3H3/t10-,12-,13+,14+,15-/m1/s1
InChIKey VDVAKVGUWAPXDD-JSFFLRCESA-N
Molecular Weight 335.356 g/mol
SMILES [C@@]12([C@](N(Cc3ccccc3)O[C@]1(OC(O2)=O)[H])([C@]1(OC(C)(C)O[C@@]1(C)[H])[H])[H])[H]
SPLASH splash10-0006-9000000000-fbea8710a9b8538b9388
Source of Spectrum C-106-5602-0
Synonyms (3R,3aS,6aR)-2-benzyl-3-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]tetrahydro[1,3]dioxolo[4,5-d]isoxazol-5-one [3.alpha.(4R*,5S*),3a.alpha.,6a.alpha.]-(+,-)-tetrahydro-2-(phenylmethyl)-3-(2,2,5-trimethyl-1,3-dioxolan-4-yl)-[1,3]dioxolo[4,5-d]isoxazol-5-one
Wiley ID 1331625