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(-)-N-[(2'S,3'S)-2'-Phenyllthio-3'-hydroxyhexyl]-(R)-alanine tert-butyl ester
SpectraBase Compound ID Pugd9Dtl0P
InChI InChI=1S/C19H31NO3S/c1-6-10-16(21)17(24-15-11-8-7-9-12-15)13-20-14(2)18(22)23-19(3,4)5/h7-9,11-12,14,16-17,20-21H,6,10,13H2,1-5H3/t14-,16+,17+/m1/s1
InChIKey CXFOITQUIRRDFG-PVAVHDDUSA-N
Mol Weight 353.52 g/mol
Molecular Formula C19H31NO3S
Exact Mass 353.202465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QGAn58i3c
Name (-)-N-[(2'S,3'S)-2'-Phenyllthio-3'-hydroxyhexyl]-(R)-alanine tert-butyl ester
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Formula C19H31NO3S
InChI InChI=1S/C19H31NO3S/c1-6-10-16(21)17(24-15-11-8-7-9-12-15)13-20-14(2)18(22)23-19(3,4)5/h7-9,11-12,14,16-17,20-21H,6,10,13H2,1-5H3/t14-,16+,17+/m1/s1
InChIKey CXFOITQUIRRDFG-PVAVHDDUSA-N
Molecular Weight 353.521 g/mol
SMILES N([C@@](C(OC(C)(C)C)=O)(C)[H])C[C@@]([C@@](O)(CCC)[H])(Sc1ccccc1)[H]
SPLASH splash10-0ufr-0900000000-78de6bd080354e0c7c01
Source of Spectrum F-53-3390-14b
Synonyms (-)-N-[(2'S,3'S)-2'-Phenylthio-3'-hydroxyhexyl]-(R)-alanine tert-butyl ester
Wiley ID 800947