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Bicyclo[2.2.1]heptane-2-carboxylic acid, 2-amino-6-(methylthio)-, methyl ester, (2-exo,6-endo)-(.+-.)-
SpectraBase Compound ID 94Xp2Xwt4qL
InChI InChI=1S/C10H17NO2S/c1-13-9(12)10(11)5-6-3-7(10)8(4-6)14-2/h6-8H,3-5,11H2,1-2H3/t6-,7+,8?,10+/m1/s1
InChIKey RENJLJIIHQUOGV-ABFRNEGJSA-N
Mol Weight 215.31 g/mol
Molecular Formula C10H17NO2S
Exact Mass 215.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D67Ih2yMQbI
Name Bicyclo[2.2.1]heptane-2-carboxylic acid, 2-amino-6-(methylthio)-, methyl ester, (2-exo,6-endo)-(.+-.)-
Alternate Name(s) methyl 2-amino-6-(methylsulfanyl)bicyclo[2.2.1]heptane-2-carboxylate Methyl 2-exo-amino-6-endo-(methylthio)bicyclo[2.2.1]-heptane-2-endo-carboxylate
CAS Registry Number 127572-42-3
Comments Less than 3 mono-isotopic peaks
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Formula C10H17NO2S
InChI InChI=1S/C10H17NO2S/c1-13-9(12)10(11)5-6-3-7(10)8(4-6)14-2/h6-8H,3-5,11H2,1-2H3/t6-,7+,8?,10+/m1/s1
InChIKey RENJLJIIHQUOGV-ABFRNEGJSA-N
Molecular Weight 215.311 g/mol
SMILES N[C@@]1([C@@]2(C(SC)C[C@](C1)(C2)[H])[H])C(=O)OC
SPLASH splash10-014i-0090000000-4ad272dc3337b484b101
Source of Spectrum J-55-3802-1
Wiley ID 1214435