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(1S,3R,4R)-3-Benzylsulfanylmethyl-2-azabicyclo[2.2.1]heptane
SpectraBase Compound ID 8zlVYAmB1vz
InChI InChI=1S/C14H19NS/c1-2-4-11(5-3-1)9-16-10-14-12-6-7-13(8-12)15-14/h1-5,12-15H,6-10H2/t12-,13+,14+/m1/s1
InChIKey AJQWJIYMPDOKFR-RDBSUJKOSA-N
Mol Weight 233.37 g/mol
Molecular Formula C14H19NS
Exact Mass 233.123821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5JH0x1teqUs
Name (1S,3R,4R)-3-Benzylsulfanylmethyl-2-azabicyclo[2.2.1]heptane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19NS
InChI InChI=1S/C14H19NS/c1-2-4-11(5-3-1)9-16-10-14-12-6-7-13(8-12)15-14/h1-5,12-15H,6-10H2/t12-,13+,14+/m1/s1
InChIKey AJQWJIYMPDOKFR-RDBSUJKOSA-N
Molecular Weight 233.373 g/mol
SMILES N1[C@@]2(C[C@]([C@@]1(CSCc1ccccc1)[H])(CC2)[H])[H]
SPLASH splash10-014m-9010000000-38f24fb36dede26709d6
Source of Spectrum KC-1-361-5
Synonyms (1R,2R,4S)-2-[(phenylmethylthio)methyl]-3-azabicyclo[2.2.1]heptane (1R,2R,4S)-2-(benzylsulfanylmethyl)-3-azabicyclo[2.2.1]heptane (1R,2R,4S)-2-[(phenylmethylsulfanyl)methyl]-3-azabicyclo[2.2.1]heptane
Wiley ID 1577595