Debug Info

object
{15}
_id
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4SMFOpvNMfn
spectrumID
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4SMFOpvNMfn
cost
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1
specType
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262144
xnmrNucleus
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dbLocation
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WSACX:6261:1
hasStructureAssignments
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properties
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Spectrum
isFullSpectrum
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spectralOutlier
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compound
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1735074081058
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(S)-2-(Z-amino)-4-sulfamoylbutyric acid
SpectraBase Compound ID G0uFoFSml71
InChI InChI=1S/C12H16N2O6S/c13-21(18,19)7-6-10(11(15)16)14-12(17)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,17)(H,15,16)(H2,13,18,19)/t10-/m0/s1
InChIKey GTAGASVUOLXUGJ-JTQLQIEISA-N
Mol Weight 316.33 g/mol
Molecular Formula C12H16N2O6S
Exact Mass 316.072907 g/mol
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13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4SMFOpvNMfn
Name (S)-2-(Z-amino)-4-sulfamoylbutyric acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 310972
CAS Registry Number 112898-30-3
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2O6S
InChI 1S/C12H16N2O6S/c13-21(18,19)7-6-10(11(15)16)14-12(17)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,17)(H,15,16)(H2,13,18,19)/t10-/m0/s1
InChIKey GTAGASVUOLXUGJ-JTQLQIEISA-N
Observed nucleus 13C
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Z-2-AMINO-4-SULFAMOYLBUTYRIC ACID L-2-benzyloxycarbonylamino-4-sulfamoylbutyric acid
Wiley ID SIAL_13CNMR_006261
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