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(3RS,4SR)-and(3RS,4RS)-1-Amino-6-methyl-4-(phenylthio)heptan-3-ol

View entire compound with spectra: 1 MS (GC)

(3RS,4SR)-and(3RS,4RS)-1-Amino-6-methyl-4-(phenylthio)heptan-3-ol
SpectraBase Compound ID BCnkMxwXT86
InChI InChI=1S/C14H23NOS/c1-11(2)10-14(13(16)8-9-15)17-12-6-4-3-5-7-12/h3-7,11,13-14,16H,8-10,15H2,1-2H3
InChIKey XTXBWMCJTWBBGE-UHFFFAOYSA-N
Mol Weight 253.4 g/mol
Molecular Formula C14H23NOS
Exact Mass 253.150036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LpoYFSmu18C
Name (3RS,4SR)-and(3RS,4RS)-1-Amino-6-methyl-4-(phenylthio)heptan-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H23NOS
InChI InChI=1S/C14H23NOS/c1-11(2)10-14(13(16)8-9-15)17-12-6-4-3-5-7-12/h3-7,11,13-14,16H,8-10,15H2,1-2H3
InChIKey XTXBWMCJTWBBGE-UHFFFAOYSA-N
Molecular Weight 253.404 g/mol
SMILES NCCC(C(Sc1ccccc1)CC(C)C)O
SPLASH splash10-00di-9300000000-820236f335130bd797b3
Source of Spectrum KC-1993-1652-51
Synonyms 1-Amino-6-methyl-4-(phenylsulfanyl)-3-heptanol
Wiley ID 778303