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

*Links on SpectraBase are not permalinks.
4-Phenylsulphonyl-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]octan-7-one
SpectraBase Compound ID CpOTuMPNArQ
InChI InChI=1S/C13H11NO3S/c15-13-9-7-8(9)12-10(13)11(7)14(12)18(16,17)6-4-2-1-3-5-6/h1-5,7-12H/t7-,8?,9-,10+,11-,12+/m1/s1
InChIKey UQQPKCQRORVAFH-RYGBEOOOSA-N
Mol Weight 261.29 g/mol
Molecular Formula C13H11NO3S
Exact Mass 261.045964 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 1YEzTtai8kt
Name 4-Phenylsulphonyl-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]octan-7-one
CAS Registry Number 136708-85-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO3S
InChI InChI=1S/C13H11NO3S/c15-13-9-7-8(9)12-10(13)11(7)14(12)18(16,17)6-4-2-1-3-5-6/h1-5,7-12H/t7-,8?,9-,10+,11-,12+/m1/s1
InChIKey UQQPKCQRORVAFH-RYGBEOOOSA-N
Molecular Weight 261.295 g/mol
SMILES c1(S(N2[C@@]3([C@]4(C(=O)[C@]5(C3[C@]5([C@@]24[H])[H])[H])[H])[H])(=O)=O)ccccc1
SPLASH splash10-0006-9100000000-761e94de4646fa260768
Source of Spectrum K-124-2894-6
Synonyms 4-(Phenylsulfonyl)-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]octan-7-one
Wiley ID 1264623