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

*Links on SpectraBase are not permalinks.
3-Oxa-8-azatricyclo[5.1.0.0(2,4)]oct-5-ene, 8-(phenylsulfonyl)-, (1.alpha.,2.alpha.,4.alpha.,7.alpha.)-
SpectraBase Compound ID 6M6MUkXmm5W
InChI InChI=1S/C12H11NO3S/c14-17(15,8-4-2-1-3-5-8)13-9-6-7-10-12(16-10)11(9)13/h1-7,9-12H/t9-,10-,11-,12-,13?/m1/s1
InChIKey LGYYAKCJCUOIFX-JVASRFHESA-N
Mol Weight 249.28 g/mol
Molecular Formula C12H11NO3S
Exact Mass 249.045964 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 4kSoGSN7V0m
Name 3-Oxa-8-azatricyclo[5.1.0.0(2,4)]oct-5-ene, 8-(phenylsulfonyl)-, (1.alpha.,2.alpha.,4.alpha.,7.alpha.)-
CAS Registry Number 76670-74-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO3S
InChI InChI=1S/C12H11NO3S/c14-17(15,8-4-2-1-3-5-8)13-9-6-7-10-12(16-10)11(9)13/h1-7,9-12H/t9-,10-,11-,12-,13?/m1/s1
InChIKey LGYYAKCJCUOIFX-JVASRFHESA-N
Molecular Weight 249.284 g/mol
SMILES [C@]12(N([C@@]1(C=C[C@]1(O[C@@]21[H])[H])[H])S(=O)(=O)c1ccccc1)[H]
SPLASH splash10-0a59-5920000000-5533e91163b1a0205de6
Source of Spectrum K-116-2514-0
Synonyms (1R,2S,4R,7R)-8-(phenylsulfonyl)-3-oxa-8-azatricyclo[5.1.0.0(2,4)]oct-5-ene DL-(1.alpha.,2.alpha.,4.alpha.,7.alpha.)-8-(phenylsulfonyl)-3-oxa-8-azatricyclo[5.1.0.0(2,4)]oct-5-ene
Wiley ID 1252030