SpectraBase Spectrum ID |
9lxlUDbNfyJ |
Name |
Bicyclo[2.2.1]heptane-2-carboxylic acid, 3-[[(1-methylethyl)sulfonyl]methyl]-, 2-butenyl ester, [1R-[1.alpha.,2.beta.(E),3.beta.,4.alpha.]]- |
CAS Registry Number |
128208-14-0 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C16H26O4S |
InChI |
InChI=1S/C16H26O4S/c1-4-5-8-20-16(17)15-13-7-6-12(9-13)14(15)10-21(18,19)11(2)3/h4-5,11-15H,6-10H2,1-3H3/b5-4+/t12-,13+,14+,15-/m1/s1 |
InChIKey |
VAXRTUORABXWQE-WTNLSTOESA-N |
Molecular Weight |
314.440 g/mol |
SMILES |
C(S(=O)(=O)C(C)C)[C@@]1([C@@]([C@]2([H])C[C@]1(CC2)[H])(C(=O)OC\C=C\C)[H])[H] |
SPLASH |
splash10-0pbc-9820000000-80eebaea426b838745a7 |
Source of Spectrum |
F-45-7315-12 |
Synonyms |
(2E)-2-butenyl (1S,2R,3S,4R)-3-[(isopropylsulfonyl)methyl]bicyclo[2.2.1]heptane-2-carboxylate
(E)-2-Butenyl(2R,3S)-cis-endo-3-(2-propylsulfonylmethyl)bicyclo[2.2.1]heptane-2-carboxylate |
Wiley ID |
1314897 |