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Bicyclo[2.2.1]heptane-2-carboxylic acid, 3-[(phenylsulfonyl)methyl]-, methyl ester, [1S-(endo,endo)]-
SpectraBase Compound ID J2AyP5meEjD
InChI InChI=1S/C16H20O4S/c1-20-16(17)15-12-8-7-11(9-12)14(15)10-21(18,19)13-5-3-2-4-6-13/h2-6,11-12,14-15H,7-10H2,1H3/t11-,12+,14-,15+/m1/s1
InChIKey SULWLXNUWMWWCK-OSRDXIQISA-N
Mol Weight 308.39 g/mol
Molecular Formula C16H20O4S
Exact Mass 308.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dpY73488PK
Name Bicyclo[2.2.1]heptane-2-carboxylic acid, 3-[(phenylsulfonyl)methyl]-, methyl ester, [1S-(endo,endo)]-
Alternate Name(s) (2S,3R)-cis-endo-3-(phenylsulfonylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid methyl ester Methyl (1S,2S,3R,4R)-3-[(phenylsulfonyl)methyl]bicyclo[2.2.1]heptane-2-carboxylate
CAS Registry Number 128208-18-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O4S
InChI InChI=1S/C16H20O4S/c1-20-16(17)15-12-8-7-11(9-12)14(15)10-21(18,19)13-5-3-2-4-6-13/h2-6,11-12,14-15H,7-10H2,1H3/t11-,12+,14-,15+/m1/s1
InChIKey SULWLXNUWMWWCK-OSRDXIQISA-N
Molecular Weight 308.392 g/mol
SMILES C(S(=O)(=O)c1ccccc1)[C@]1([C@]([C@]2([H])C[C@]1(CC2)[H])(C(=O)OC)[H])[H]
SPLASH splash10-066r-2900000000-b42dde2d81db06c1168f
Source of Spectrum F-45-7314-5
Wiley ID 1309632