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N-[(1S)-1-[(S)-hydroxy-[(2S,3R)-2-phenyloxetan-3-yl]methyl]-3-methyl-butyl]carbamic acid tert-butyl ester
SpectraBase Compound ID FR0h4J0YG0o
InChI InChI=1S/C20H31NO4/c1-13(2)11-16(21-19(23)25-20(3,4)5)17(22)15-12-24-18(15)14-9-7-6-8-10-14/h6-10,13,15-18,22H,11-12H2,1-5H3,(H,21,23)/t15-,16+,17+,18-/m1/s1
InChIKey XLJKRDQIIQRHOB-VSZNYVQBSA-N
Mol Weight 349.47 g/mol
Molecular Formula C20H31NO4
Exact Mass 349.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dSJ0Q9kOWP
Name N-[(1S)-1-[(S)-hydroxy-[(2S,3R)-2-phenyloxetan-3-yl]methyl]-3-methyl-butyl]carbamic acid tert-butyl ester
Alternate Name(s) N-[(1S,2S)-1-hydroxy-4-methyl-1-[(2S,3R)-2-phenyl-3-oxetanyl]pentan-2-yl]carbamic acid tert-butyl ester tert-Butyl N-[(1S)-1-[(S)-hydroxy-[(2S,3R)-2-phenyloxetan-3-yl]methyl]-3-methyl-butyl]carbamate tert-Butyl N-[(1S,2S)-1-hydroxy-4-methyl-1-[(2S,3R)-2-phenyloxetan-3-yl]pentan-2-yl]carbamate tert-Butyl N-[(1S,2S)-4-methyl-1-oxidanyl-1-[(2S,3R)-2-phenyloxetan-3-yl]pentan-2-yl]carbamate
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Formula C20H31NO4
InChI InChI=1S/C20H31NO4/c1-13(2)11-16(21-19(23)25-20(3,4)5)17(22)15-12-24-18(15)14-9-7-6-8-10-14/h6-10,13,15-18,22H,11-12H2,1-5H3,(H,21,23)/t15-,16+,17+,18-/m1/s1
InChIKey XLJKRDQIIQRHOB-VSZNYVQBSA-N
Molecular Weight 349.471 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@]([C@]([C@@]1([C@@](c2ccccc2)(OC1)[H])[H])(O)[H])(CC(C)C)[H]
SPLASH splash10-0a5i-9600000000-e15deafadfed00363e8d
Source of Spectrum J-62-8559-12
Wiley ID 1341430