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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.]]-
SpectraBase Compound ID DUcMX2X1eko
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
Mol Weight 314.44 g/mol
Molecular Formula C16H26O4S
Exact Mass 314.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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