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(2S,3R)-2-(tert-butylthio)-1-(2-naphthalenyl)-3-heptanamine
SpectraBase Compound ID EoBpstL9gNo
InChI InChI=1S/C21H31NS/c1-5-6-11-19(22)20(23-21(2,3)4)15-16-12-13-17-9-7-8-10-18(17)14-16/h7-10,12-14,19-20H,5-6,11,15,22H2,1-4H3/t19-,20+/m1/s1
InChIKey ZCVRNLIFUMCBCN-UXHICEINSA-N
Mol Weight 329.55 g/mol
Molecular Formula C21H31NS
Exact Mass 329.217721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3T7DJOtJWpD
Name (2S,3R)-2-(tert-butylthio)-1-(2-naphthalenyl)-3-heptanamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NS
InChI InChI=1S/C21H31NS/c1-5-6-11-19(22)20(23-21(2,3)4)15-16-12-13-17-9-7-8-10-18(17)14-16/h7-10,12-14,19-20H,5-6,11,15,22H2,1-4H3/t19-,20+/m1/s1
InChIKey ZCVRNLIFUMCBCN-UXHICEINSA-N
Molecular Weight 329.546 g/mol
SMILES N[C@@]([C@@](SC(C)(C)C)(Cc1cc2ccccc2cc1)[H])(CCCC)[H]
SPLASH splash10-000i-9110000000-c06f0783c9f75cbfee9b
Source of Spectrum K1-2003-3930-5
Synonyms (2S,3R)-2-tert-butylsulfanyl-1-(2-naphthyl)heptan-3-amine (2S,3R)-2-tert-butylsulfanyl-1-naphthalen-2-yl-heptan-3-amine [(1R)-1-[(1S)-1-(tert-butylthio)-2-(2-naphthyl)ethyl]pentyl]amine
Wiley ID 1521569