InChiKey
type: DefinedTerm

sample
type: Entity
relation: assigned IUPACChemicalFormula
  type: Entity
  type: IUPACChemicalFormula
  value: C12H22O11
relation: assigned SMILES
  type: SMILES
  type: Entity
  value: OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O
relation: assigned InChiKey
  type: Entity
  type: InChiKey
  value: CZMRCDWAGMRECN-UHFFFAOYSA-N
relation: assigned IUPACChemicalFormula
  type: IUPACChemicalFormula
  type: Entity
  value: C12H22O11
relation: assigned InChi
  type: InChi
  type: Entity
  value: InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2
relation: assigned InChi
  type: InChi
  type: Entity
  value: InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2
relation: assigned SMILES
  type: SMILES
  type: Entity
  value: OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O
relation: assigned InChiKey
  type: Entity
  type: InChiKey
  value: CZMRCDWAGMRECN-UHFFFAOYSA-N

SMILES
type: DefinedTerm

InChi
type: DefinedTerm

IUPACChemicalFormula
type: DefinedTerm

spectrum
type: DefinedTerm

peak identification
type: DefinedTerm

Outreach_2_3_sucrose_standard_D2O_05312024[1]
type: Dataset
landing page: https://nmrxiv.org/D3312
conforms to: Standard
creator: NA
description: This dataset contains NMR spectra obtained for the sample -Outreach_2_3_sucrose_standard_D2O_05312024 x: 0,0.00020853333333333332,0.00041706666666666665,0.0006256,0.0008341333333333333,0.0010426666666666666,0.0012512,0.0014597333333333333,0.0016682666666666666,0.0018767999999999999,0.002085333333333333,0.0022938666666666666,0.0025024,0.002710933333333333,0.0029194666666666667,0.0031279999999999997,0.003336533333333333,0.0035450666666666667,0.0037535999999999997,0.003962133333333333,0.004170666666666666,0.0043792,0.004587733333333333,0.004796266666666667,0.0050048,0.005213333333333333,0.005421866666666666,0.0056304,0.005838933333333333,0.006047466666666667,0.006255999999999999,0.006464533333333333,0.006673066666666666,0.0068816,0.007090133333333333,0.007298666666666666,0.0075071999999999995,0.007715733333333333,0.007924266666666666,0.008132799999999999,0.008341333333333333,0.008549866666666666,0.0087584,0.008966933333333333,0.009175466666666666,0.009384,0.009592533333333333,0.009801066666666667,0.0100096,0.010218133333333332,0.010426666666666666,0.0106352,0.010843733333333333,0.011052266666666666,0.0112608,0.011469333333333333,0.011677866666666667,0.0118864,0.012094933333333334,0.012303466666666665,0.012511999999999999,0.012720533333333332,0.012929066666666666,0.0131376,0.013346133333333333,0.013554666666666666,0.0137632,0.013971733333333333,0.014180266666666667,0.0143888,0.014597333333333332,0.014805866666666665,0.015014399999999999,0.015222933333333332,0.015431466666666666,0.015639999999999998,0.01584853333333333,0.016057066666666665,0.016265599999999998,0.01647413333333333,0.016682666666666665,0.0168912,0.017099733333333332,0.017308266666666666,0.0175168,0.017725333333333333,0.017933866666666666,0.0181424,0.018350933333333333,0.018559466666666666,0.018768,0.018976533333333333,0.019185066666666667,0.0193936,0.019602133333333334,0.019810666666666667,0.0200192,0.02022773333333333,0.020436266666666664,0.020644799999999998,0.02085333333333333,0.021061866666666665,0.021…
issued: 2025-02-03
modified: 2025-12-13
subject: sample
was generated by: analysis