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5-[(Ethoxycarbonyl)methyl]-1-[(phenylthio)methyl)-6-acetamido-6-azabicyclo[3.2.1]octane
SpectraBase Compound ID 20nAGsjSNPx
InChI InChI=1S/C20H27NO3S/c1-3-24-18(23)12-20-11-7-10-19(13-20,14-21(20)16(2)22)15-25-17-8-5-4-6-9-17/h4-6,8-9H,3,7,10-15H2,1-2H3/t19-,20+/m0/s1
InChIKey ZXNGAMCNQLTZSV-VQTJNVASSA-N
Mol Weight 361.5 g/mol
Molecular Formula C20H27NO3S
Exact Mass 361.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ij2FmVUDUz
Name 5-[(Ethoxycarbonyl)methyl]-1-[(phenylthio)methyl)-6-acetamido-6-azabicyclo[3.2.1]octane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO3S
InChI InChI=1S/C20H27NO3S/c1-3-24-18(23)12-20-11-7-10-19(13-20,14-21(20)16(2)22)15-25-17-8-5-4-6-9-17/h4-6,8-9H,3,7,10-15H2,1-2H3/t19-,20+/m0/s1
InChIKey ZXNGAMCNQLTZSV-VQTJNVASSA-N
Molecular Weight 361.500 g/mol
SMILES [C@@]12(N(C(=O)C)C[C@](C2)(CSc2ccccc2)CCC1)CC(=O)OCC
SPLASH splash10-03di-0009000000-d5e45bf39c86bedd8969
Source of Spectrum J-61-4639-28
Synonyms Ethyl {6-acetyl-1-[(phenylsulfanyl)methyl]-6-azabicyclo[3.2.1]oct-5-yl}acetate
Wiley ID 1348987