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5-Isoxazolidinol, 2-(phenylmethyl)-3-(2,2,5-trimethyl-1,3-dioxolan-4-yl)-, acetate (ester), [3.alpha.(4R*,5R*),5.alpha.]-(.+-.)-

View entire compound with spectra: 1 MS (GC)

5-Isoxazolidinol, 2-(phenylmethyl)-3-(2,2,5-trimethyl-1,3-dioxolan-4-yl)-, acetate (ester), [3.alpha.(4R*,5R*),5.alpha.]-(.+-.)-
SpectraBase Compound ID BJoIt8hUDyj
InChI InChI=1S/C18H25NO5/c1-12-17(23-18(3,4)22-12)15-10-16(21-13(2)20)24-19(15)11-14-8-6-5-7-9-14/h5-9,12,15-17H,10-11H2,1-4H3/t12-,15+,16-,17+/m1/s1
InChIKey XRXDFVIPPGTOKC-ZFVVBOAOSA-N
Mol Weight 335.4 g/mol
Molecular Formula C18H25NO5
Exact Mass 335.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Zkp288Bw7u
Name 5-Isoxazolidinol, 2-(phenylmethyl)-3-(2,2,5-trimethyl-1,3-dioxolan-4-yl)-, acetate (ester), [3.alpha.(4R*,5R*),5.alpha.]-(.+-.)-
CAS Registry Number 91190-34-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO5
InChI InChI=1S/C18H25NO5/c1-12-17(23-18(3,4)22-12)15-10-16(21-13(2)20)24-19(15)11-14-8-6-5-7-9-14/h5-9,12,15-17H,10-11H2,1-4H3/t12-,15+,16-,17+/m1/s1
InChIKey XRXDFVIPPGTOKC-ZFVVBOAOSA-N
Molecular Weight 335.400 g/mol
SMILES [C@]1(N(O[C@](C1)(OC(=O)C)[H])Cc1ccccc1)([C@]1(OC(C)(C)O[C@@]1(C)[H])[H])[H]
SPLASH splash10-00di-0092000000-2746ffa1ea202d9fd4aa
Source of Spectrum C-106-5601-0
Synonyms (3S,5R)-2-benzyl-3-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]isoxazolidinyl acetate [3.alpha.(4S*,5R*),5.beta.]-(+,-)-5-ethoxy-2-(phenylmethyl)-3-(2,2,5-trimethyl-1,3-dioxolan-4-yl)-isoxazolidinol acetate
Wiley ID 1331670