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(S)-1-[4-(4-Methoxyphenylsulfonyl)piperazin-1-yl]-3-(3-nitrophenoxy)propan-2-ol hydrochloride
SpectraBase Compound ID BovX4xbLgMG
InChI InChI=1S/C20H25N3O7S.ClH/c1-29-18-5-7-20(8-6-18)31(27,28)22-11-9-21(10-12-22)14-17(24)15-30-19-4-2-3-16(13-19)23(25)26;/h2-8,13,17,24H,9-12,14-15H2,1H3;1H/t17-;/m0./s1
InChIKey CEFOPYMXFWMSDM-LMOVPXPDSA-N
Mol Weight 487.96 g/mol
Molecular Formula C20H26ClN3O7S
Exact Mass 487.117999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GC6tjHcaUBO
Name (S)-1-[4-(4-Methoxyphenylsulfonyl)piperazin-1-yl]-3-(3-nitrophenoxy)propan-2-ol hydrochloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26ClN3O7S
InChI InChI=1S/C20H25N3O7S.ClH/c1-29-18-5-7-20(8-6-18)31(27,28)22-11-9-21(10-12-22)14-17(24)15-30-19-4-2-3-16(13-19)23(25)26;/h2-8,13,17,24H,9-12,14-15H2,1H3;1H/t17-;/m0./s1
InChIKey CEFOPYMXFWMSDM-LMOVPXPDSA-N
Molecular Weight 487.955 g/mol
SMILES Cl.O[C@@](CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)OC)(COc1cc(ccc1)[N+](=O)[O-])[H]
SPLASH splash10-03e9-0191000000-6d192891b5651b81b90e
Source of Spectrum CMC-4-2094-23'
Synonyms (S)-1-(4-((4-methoxyphenyl)sulfonyl)piperazin-1-yl)-3-(3-nitrophenoxy)propan-2-ol hydrochloride
Wiley ID 1771558