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3.beta.-Phenylthiolupanine
SpectraBase Compound ID 6G03MD5HSRP
InChI InChI=1S/C21H28N2OS/c24-21-20(25-17-6-2-1-3-7-17)10-9-19-15-12-16(14-23(19)21)18-8-4-5-11-22(18)13-15/h1-3,6-7,15-16,18-20H,4-5,8-14H2/t15-,16-,18-,19+,20-/m0/s1
InChIKey SRADSYCIZFNRCG-HNULKUCHSA-N
Mol Weight 356.53 g/mol
Molecular Formula C21H28N2OS
Exact Mass 356.192235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6NzrgTe3NcP
Name 3.beta.-Phenylthiolupanine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28N2OS
InChI InChI=1S/C21H28N2OS/c24-21-20(25-17-6-2-1-3-7-17)10-9-19-15-12-16(14-23(19)21)18-8-4-5-11-22(18)13-15/h1-3,6-7,15-16,18-20H,4-5,8-14H2/t15-,16-,18-,19+,20-/m0/s1
InChIKey SRADSYCIZFNRCG-HNULKUCHSA-N
Molecular Weight 356.528 g/mol
SMILES C1(N2[C@](CC[C@@]1(Sc1ccccc1)[H])([C@@]1(CN3CCCC[C@]3([C@@](C2)([H])C1)[H])[H])[H])=O
SPLASH splash10-0002-1490000000-b694dec7322a70d2e5cb
Source of Spectrum F-65-3457-7
Wiley ID 1684681