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7-Acetoxy-4-methylsulphonyl-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]octane
SpectraBase Compound ID HwKtmgTdkWd
InChI InChI=1S/C10H13NO4S/c1-3(12)15-10-6-4-5(6)9-7(10)8(4)11(9)16(2,13)14/h4-10H,1-2H3/t4-,5+,6-,7+,8-,9+,10?
InChIKey WQXXKKGBAGQRFQ-NUPRYLOOSA-N
Mol Weight 243.28 g/mol
Molecular Formula C10H13NO4S
Exact Mass 243.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FUUcWpAfrTT
Name 7-Acetoxy-4-methylsulphonyl-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]octane
CAS Registry Number 136708-52-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13NO4S
InChI InChI=1S/C10H13NO4S/c1-3(12)15-10-6-4-5(6)9-7(10)8(4)11(9)16(2,13)14/h4-10H,1-2H3/t4-,5+,6-,7+,8-,9+,10?
InChIKey WQXXKKGBAGQRFQ-NUPRYLOOSA-N
Molecular Weight 243.277 g/mol
SMILES [C@]12(N([C@@]3([C@@]4([C@]2([C@@]4(C([C@]13[H])OC(=O)C)[H])[H])[H])[H])S(=O)(=O)C)[H]
SPLASH splash10-0006-9000000000-02e0b5a5162ef2e1892c
Source of Spectrum K-124-2890-1
Synonyms 4-(methylsulfonyl)-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]oct-7-yl acetate
Wiley ID 1245841