Debug Info

object
{15}
_id
:
Aw8qdGP5J8G
spectrumID
:
Aw8qdGP5J8G
cost
:
1
specType
:
262144
xnmrNucleus
:
0
dbLocation
:
NOX:161930:1
hasStructureAssignments
:
true
properties
{12}
analyticalTechnique
:
13C NMR
analyticalTechniqueLongName
:
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
isFullSpectrum
:
false
spectralOutlier
:
false
compound
{10}
lastUpdated
:
1735074081058
isDeprecated
:
false

Logged In :

Authorized Features

  • None
  • DataFullSpectraPoints
  • DataReadAll
  • DataReportGeneration
  • ExportCompound
  • ExportStructure
  • ExportSpectrum
  • ImageFullMS
  • ImageHighRes
  • ImageFullAxis
  • SearchSpectral
  • SearchStructure
ADVERTISEMENT
(1-Hemi-D-[.beta.,.beta.-dideuterio]cyctein)-ocytocin
SpectraBase Compound ID Acm1paHgg01
InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/i19D2
InChIKey XNOPRXBHLZRZKH-FKUWIZNHSA-N
Mol Weight 1009.2 g/mol
Molecular Formula C43H64D2N12O12S2
Exact Mass 1008.449011 g/mol
ADVERTISEMENT

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Aw8qdGP5J8G
Name (1-Hemi-D-[.beta.,.beta.-dideuterio]cyctein)-ocytocin
CAS Registry Number 57866-64-5
Comments REFERENCE WAS ORIGINALLY DIOXANE WITH 126.1 PPM (CS2) PH = 6.0
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C43H64D2N12O12S2
InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/i19D2
InChIKey XNOPRXBHLZRZKH-FKUWIZNHSA-N
Instrument Name Bruker WH-90
Literature Reference V.J. Hruby, K.K. Deb, A.F. Spatola, J. Am. Chem. Soc. 101, 202 (1979).
NMR Standard CS2
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O
ADVERTISEMENT