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7-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-acetyl-7-(p-tolylsulfonyl)-, methyl ester, endo-2,exo-3-
SpectraBase Compound ID 1vT10jrZiyR
InChI InChI=1S/C17H21NO5S/c1-10-4-6-12(7-5-10)24(21,22)18-13-8-9-14(18)16(17(20)23-3)15(13)11(2)19/h4-7,13-16H,8-9H2,1-3H3/t13-,14+,15-,16-/m0/s1
InChIKey LGFCVNODAGBVCD-FZKCQIBNSA-N
Mol Weight 351.42 g/mol
Molecular Formula C17H21NO5S
Exact Mass 351.114044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BWcewPKtqaA
Name 7-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-acetyl-7-(p-tolylsulfonyl)-, methyl ester, endo-2,exo-3-
Alternate Name(s) 7-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-acetyl-7-(p-tolylsulfonyl)-, methyl ester, endo-2,endo-3- Methyl 3-acetyl-7-[(4-methylphenyl)sulfonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylate 2-Acetyl-7-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptane-3-carboxylic acid methyl ester 2-Acetyl-7-tosyl-7-azabicyclo[2.2.1]heptane-3-carboxylic acid methyl ester Methyl 2-acetyl-7-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptane-3-carboxylate Methyl 2-acetyl-7-(p-tolylsulfonyl)-7-azabicyclo[2.2.1]heptane-3-carboxylate Methyl 2-ethanoyl-7-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptane-3-carboxylate
CAS Registry Number 17037-47-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO5S
InChI InChI=1S/C17H21NO5S/c1-10-4-6-12(7-5-10)24(21,22)18-13-8-9-14(18)16(17(20)23-3)15(13)11(2)19/h4-7,13-16H,8-9H2,1-3H3/t13-,14+,15-,16-/m0/s1
InChIKey LGFCVNODAGBVCD-FZKCQIBNSA-N
Molecular Weight 351.417 g/mol
SMILES Cc1ccc(cc1)S(N1[C@]2(CC[C@@]1([C@@]([C@]2(C(C)=O)[H])(C(=O)OC)[H])[H])[H])(=O)=O
SPLASH splash10-00kf-9510000000-0c2c3b7b704dd1c0c558
Source of Spectrum O7-0-1419-0
Wiley ID 1342508