Debug Info

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8cGm6tmyslf
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8cGm6tmyslf
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Hydrogen Methyl (3S,5R)-1-tosylpiperidine-3,5-dicarboxylate
SpectraBase Compound ID 93BM7BSMC42
InChI InChI=1S/C15H19NO6S/c1-10-3-5-13(6-4-10)23(20,21)16-8-11(14(17)18)7-12(9-16)15(19)22-2/h3-6,11-12H,7-9H2,1-2H3,(H,17,18)/t11-,12+/m1/s1
InChIKey XQMWULNKAUKFRP-NEPJUHHUSA-N
Mol Weight 341.38 g/mol
Molecular Formula C15H19NO6S
Exact Mass 341.093309 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8cGm6tmyslf
Name Hydrogen Methyl (3S,5R)-1-tosylpiperidine-3,5-dicarboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19NO6S
InChI InChI=1S/C15H19NO6S/c1-10-3-5-13(6-4-10)23(20,21)16-8-11(14(17)18)7-12(9-16)15(19)22-2/h3-6,11-12H,7-9H2,1-2H3,(H,17,18)/t11-,12+/m1/s1
InChIKey XQMWULNKAUKFRP-NEPJUHHUSA-N
Molecular Weight 341.378 g/mol
SMILES OC([C@]1(CN(S(c2ccc(cc2)C)(=O)=O)C[C@@](C(=O)OC)(C1)[H])[H])=O
SPLASH splash10-0udi-0090000000-b4785727ba16dd91cd24
Source of Spectrum QC-7-348-2
Synonyms (3R,5S)-5-(methoxycarbonyl)-1-[(4-methylphenyl)sulfonyl]-3-piperidinecarboxylic acid
Wiley ID 869084
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