For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1H,3H-Pyrrolo[1,2-c]oxazol-1-one, 3-(1,1-dimethylethyl)tetrahydro-7a-(1-hydroxy-2-cyclohexen-1-yl)-, [3R-[3.alpha.,7a.alpha.(R*)]]-
SpectraBase Compound ID CnjkpbcKIlm
InChI InChI=1S/C16H25NO3/c1-14(2,3)12-17-11-7-10-16(17,13(18)20-12)15(19)8-5-4-6-9-15/h5,8,12,19H,4,6-7,9-11H2,1-3H3/t12-,15?,16+/m1/s1
InChIKey JPYAREJIXURGNH-TYVLWQRCSA-N
Mol Weight 279.38 g/mol
Molecular Formula C16H25NO3
Exact Mass 279.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8KqOyphEYrn
Name 1H,3H-Pyrrolo[1,2-c]oxazol-1-one, 3-(1,1-dimethylethyl)tetrahydro-7a-(1-hydroxy-2-cyclohexen-1-yl)-, [3R-[3.alpha.,7a.alpha.(R*)]]-
CAS Registry Number 86116-80-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25NO3
InChI InChI=1S/C16H25NO3/c1-14(2,3)12-17-11-7-10-16(17,13(18)20-12)15(19)8-5-4-6-9-15/h5,8,12,19H,4,6-7,9-11H2,1-3H3/t12-,15?,16+/m1/s1
InChIKey JPYAREJIXURGNH-TYVLWQRCSA-N
Molecular Weight 279.380 g/mol
SMILES OC1([C@]23N([C@@](C(C)(C)C)(OC3=O)[H])CCC2)C=CCCC1
SPLASH splash10-00lr-0900000000-4d9705b989fcf8db7226
Source of Spectrum C-105-5396-0
Synonyms (2R,5R)-2-tert-butyl-5-(1'-hydroxy-2'-cyclohexenyl)-1-aza-3-oxabicyclo[3.3.0]octan-4-one (3R,7aR)-3-tert-butyl-7a-(1-hydroxy-2-cyclohexen-1-yl)tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-1-one
Wiley ID 1283052