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1H,3H-Pyrrolo[1,2-c]oxazol-1-one, 3-(1,1-dimethylethyl)tetrahydro-7a-(hydroxyphenylmethyl)-, [3R-[3.alpha.,7a.alpha.(S*)]]-
SpectraBase Compound ID COpdaOcNzNt
InChI InChI=1S/C17H23NO3/c1-16(2,3)14-18-11-7-10-17(18,15(20)21-14)13(19)12-8-5-4-6-9-12/h4-6,8-9,13-14,19H,7,10-11H2,1-3H3/t13-,14+,17-/m0/s1
InChIKey FQSFQFRBVMNFSZ-VBQJREDUSA-N
Mol Weight 289.38 g/mol
Molecular Formula C17H23NO3
Exact Mass 289.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1F9wS13iVk
Name 1H,3H-Pyrrolo[1,2-c]oxazol-1-one, 3-(1,1-dimethylethyl)tetrahydro-7a-(hydroxyphenylmethyl)-, [3R-[3.alpha.,7a.alpha.(S*)]]-
CAS Registry Number 86046-12-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO3
InChI InChI=1S/C17H23NO3/c1-16(2,3)14-18-11-7-10-17(18,15(20)21-14)13(19)12-8-5-4-6-9-12/h4-6,8-9,13-14,19H,7,10-11H2,1-3H3/t13-,14+,17-/m0/s1
InChIKey FQSFQFRBVMNFSZ-VBQJREDUSA-N
Molecular Weight 289.375 g/mol
SMILES O[C@]([C@@]12N([C@@](C(C)(C)C)(OC2=O)[H])CCC1)(c1ccccc1)[H]
SPLASH splash10-001i-0900000000-38cba54bfd0ca4ede37f
Source of Spectrum C-105-5395-0
Synonyms (2R,5R,1'R)-2-tert-butyl-5-(1'-hydroxybenzyl)-1-aza-3-oxabicyclo[3.3.0]octan-4-one (3R,7aS)-3-tert-butyl-7a-[(S)-hydroxy(phenyl)methyl]tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-1-one
Wiley ID 1292755