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

*Links on SpectraBase are not permalinks.
7-t-butoxy-4-methylsulphonyl-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]octane
SpectraBase Compound ID 7DErCtnlbcv
InChI InChI=1S/C12H19NO3S/c1-12(2,3)16-11-7-5-6(7)10-8(11)9(5)13(10)17(4,14)15/h5-11H,1-4H3/t5-,6?,7-,8+,9-,10+,11+/m1/s1
InChIKey BUHYYEHYGPLKGC-PQTJRFLLSA-N
Mol Weight 257.35 g/mol
Molecular Formula C12H19NO3S
Exact Mass 257.108565 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 2WhC7556Gi0
Name 7-t-butoxy-4-methylsulphonyl-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]octane
CAS Registry Number 136708-45-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO3S
InChI InChI=1S/C12H19NO3S/c1-12(2,3)16-11-7-5-6(7)10-8(11)9(5)13(10)17(4,14)15/h5-11H,1-4H3/t5-,6?,7-,8+,9-,10+,11+/m1/s1
InChIKey BUHYYEHYGPLKGC-PQTJRFLLSA-N
Molecular Weight 257.348 g/mol
SMILES [C@@]12(N([C@]3(C4[C@]([C@]24[H])([C@@]([C@]13[H])(OC(C)(C)C)[H])[H])[H])S(=O)(=O)C)[H]
SPLASH splash10-0a4i-9000000000-d15a47fa813cc71c733f
Source of Spectrum K-124-2890-1
Synonyms 7-tert-butoxy-4-(methylsulfonyl)-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]octane tert-butyl 4-(methylsulfonyl)-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]oct-7-yl ether
Wiley ID 1260638