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(1R,3R,4R,5R)-3-Methoxy-4-(1'-oxopentyl)-N-(toluene-p-sulfonyl)-2-azabicyclo[3.3.0]octane

View entire compound with spectra: 1 MS (GC)

(1R,3R,4R,5R)-3-Methoxy-4-(1'-oxopentyl)-N-(toluene-p-sulfonyl)-2-azabicyclo[3.3.0]octane
SpectraBase Compound ID 9XwH57USlX
InChI InChI=1S/C20H29NO4S/c1-4-5-9-18(22)19-16-7-6-8-17(16)21(20(19)25-3)26(23,24)15-12-10-14(2)11-13-15/h10-13,16-17,19-20H,4-9H2,1-3H3/t16-,17+,19-,20+/m0/s1
InChIKey QQVYUOLWRXHHGH-KVPLUYHFSA-N
Mol Weight 379.52 g/mol
Molecular Formula C20H29NO4S
Exact Mass 379.18173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FCOpvkTkRT2
Name (1R,3R,4R,5R)-3-Methoxy-4-(1'-oxopentyl)-N-(toluene-p-sulfonyl)-2-azabicyclo[3.3.0]octane
Alternate Name(s) (3R*)-3-Methoxy-4-(1'-oxopentyl)-N-(toluene-p-sulfonyl)-2-azabicyclo[3.3.0]octane 1-{(2R,3R,3aR,6aR)-2-methoxy-1-[(4-methylphenyl)sulfonyl]octahydrocyclopenta[b]pyrrol-3-yl}-1-pentanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29NO4S
InChI InChI=1S/C20H29NO4S/c1-4-5-9-18(22)19-16-7-6-8-17(16)21(20(19)25-3)26(23,24)15-12-10-14(2)11-13-15/h10-13,16-17,19-20H,4-9H2,1-3H3/t16-,17+,19-,20+/m0/s1
InChIKey QQVYUOLWRXHHGH-KVPLUYHFSA-N
Molecular Weight 379.515 g/mol
SMILES c1(S(N2[C@@]([C@@](C(=O)CCCC)([H])[C@@]3([C@]2(CCC3)[H])[H])(OC)[H])(=O)=O)ccc(cc1)C
SPLASH splash10-0a4l-5193000000-df7c5cbab986b926d99d
Source of Spectrum B-57-1065-20
Wiley ID 1551503