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Bicyclo[2.2.1]heptane-2-carboxylic acid, 3-[[(1-methylethyl)thio]methyl]-, methyl ester, [1S-(endo,endo)]-
SpectraBase Compound ID JgFDJpEtyHw
InChI InChI=1S/C13H22O2S/c1-8(2)16-7-11-9-4-5-10(6-9)12(11)13(14)15-3/h8-12H,4-7H2,1-3H3/t9-,10+,11-,12+/m1/s1
InChIKey OCHVRQVXFUSEQY-KXNHARMFSA-N
Mol Weight 242.38 g/mol
Molecular Formula C13H22O2S
Exact Mass 242.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hm18EPveWxS
Name Bicyclo[2.2.1]heptane-2-carboxylic acid, 3-[[(1-methylethyl)thio]methyl]-, methyl ester, [1S-(endo,endo)]-
CAS Registry Number 128208-17-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2S
InChI InChI=1S/C13H22O2S/c1-8(2)16-7-11-9-4-5-10(6-9)12(11)13(14)15-3/h8-12H,4-7H2,1-3H3/t9-,10+,11-,12+/m1/s1
InChIKey OCHVRQVXFUSEQY-KXNHARMFSA-N
Molecular Weight 242.377 g/mol
SMILES [C@]1([C@@]2(C[C@]([C@]1(CSC(C)C)[H])(CC2)[H])[H])(C(=O)OC)[H]
SPLASH splash10-00kf-8910000000-e5577b1c5433799d0c2a
Source of Spectrum F-45-7314-4
Synonyms (2S,3R)-cis-endo-3-(2-propylthiomethyl)bicyclo[2.2.1]heptane-2-carboxylic acid methyl ester Methyl (1R,2S,3R,4R)-3-[(isopropylsulfanyl)methyl]bicyclo[2.2.1]heptane-2-carboxylate
Wiley ID 1244917