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cis(+)-(3S,4S)-4-Hydroxy-3-(2-nitroethyl)tetrahydro-4H-thiopyran
SpectraBase Compound ID AtpI2KnCpMx
InChI InChI=1S/C7H13NO3S/c9-7-2-4-12-5-6(7)1-3-8(10)11/h6-7,9H,1-5H2/t6-,7+/m1/s1
InChIKey JJTAHDFYIHYTPX-RQJHMYQMSA-N
Mol Weight 191.24 g/mol
Molecular Formula C7H13NO3S
Exact Mass 191.061614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZZyBnLJYe5
Name cis(+)-(3S,4S)-4-Hydroxy-3-(2-nitroethyl)tetrahydro-4H-thiopyran
Alternate Name(s) 1,5-anhydro-2,4-dideoxy-4-(2-nitroethyl)-1-thio-D-erythro-pentitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13NO3S
InChI InChI=1S/C7H13NO3S/c9-7-2-4-12-5-6(7)1-3-8(10)11/h6-7,9H,1-5H2/t6-,7+/m1/s1
InChIKey JJTAHDFYIHYTPX-RQJHMYQMSA-N
Molecular Weight 191.245 g/mol
SMILES O[C@@]1([C@](CCN(=O)=O)(CSCC1)[H])[H]
SPLASH splash10-0a4j-9400000000-513faa46941d3fac7b43
Source of Spectrum QC-8-1818-14
Wiley ID 869941