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anti-(1RS,2SR)-3-Amino-2-methyl-1-[1-(phenylthio)cyclohexyl]propan-1-ol
SpectraBase Compound ID C9bj9tQDY5T
InChI InChI=1S/C16H25NOS/c1-13(12-17)15(18)16(10-6-3-7-11-16)19-14-8-4-2-5-9-14/h2,4-5,8-9,13,15,18H,3,6-7,10-12,17H2,1H3
InChIKey NNILFIMIACJLBU-UHFFFAOYSA-N
Mol Weight 279.44 g/mol
Molecular Formula C16H25NOS
Exact Mass 279.165686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUdfNpHFl0I
Name anti-(1RS,2SR)-3-Amino-2-methyl-1-[1-(phenylthio)cyclohexyl]propan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25NOS
InChI InChI=1S/C16H25NOS/c1-13(12-17)15(18)16(10-6-3-7-11-16)19-14-8-4-2-5-9-14/h2,4-5,8-9,13,15,18H,3,6-7,10-12,17H2,1H3
InChIKey NNILFIMIACJLBU-UHFFFAOYSA-N
Molecular Weight 279.442 g/mol
SMILES NCC(C(C1(Sc2ccccc2)CCCCC1)O)C
SPLASH splash10-01pc-8900000000-55ec4fe4a7923c073435
Source of Spectrum KC-1993-1645-9
Synonyms 3-Amino-2-methyl-1-[1-(phenylsulfanyl)cyclohexyl]-1-propanol anti-(1RS,2SR)-3-Amino-2-methyl-1-[1-(phenylthio)cyclohexyl]popan-1-ol
Wiley ID 778358