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 |