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(1R,3R,4R,5R)-3-Methyl-4-(1'-oxopentyl)-N-(toluene-p-sulfonyl)-2-azabicyclo[3.3.0]octane
SpectraBase Compound ID 4ibaK6fK1l5
InChI InChI=1S/C20H29NO3S/c1-4-5-9-19(22)20-15(3)21(18-8-6-7-17(18)20)25(23,24)16-12-10-14(2)11-13-16/h10-13,15,17-18,20H,4-9H2,1-3H3/t15-,17+,18-,20+/m1/s1
InChIKey XQWBPZCOFXTZNV-QEEHTWDDSA-N
Mol Weight 363.52 g/mol
Molecular Formula C20H29NO3S
Exact Mass 363.186815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7T0KYtTt7kK
Name (1R,3R,4R,5R)-3-Methyl-4-(1'-oxopentyl)-N-(toluene-p-sulfonyl)-2-azabicyclo[3.3.0]octane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29NO3S
InChI InChI=1S/C20H29NO3S/c1-4-5-9-19(22)20-15(3)21(18-8-6-7-17(18)20)25(23,24)16-12-10-14(2)11-13-16/h10-13,15,17-18,20H,4-9H2,1-3H3/t15-,17+,18-,20+/m1/s1
InChIKey XQWBPZCOFXTZNV-QEEHTWDDSA-N
Molecular Weight 363.516 g/mol
SMILES c1(S(N2[C@]3([C@@](CCC3)([H])[C@]([C@]2(C)[H])(C(=O)CCCC)[H])[H])(=O)=O)ccc(cc1)C
SPLASH splash10-0a4l-4393000000-463d109dae43bed7f9e0
Source of Spectrum B-57-1064-20
Synonyms (3R*)-3-Methyl-4-(1'-oxopentyl)-N-(toluene-p-sulfonyl)-2-azabicyclo[3.3.0]octane 1-{(2R,3R,3aR,6aR)-2-methyl-1-[(4-methylphenyl)sulfonyl]octahydrocyclopenta[b]pyrrol-3-yl}-1-pentanone
Wiley ID 1551509