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[9,10-13C2]-Monocerin

View entire compound with spectra: 1 MS (GC)

[9,10-13C2]-Monocerin
SpectraBase Compound ID 5YIWrrAPUA0
InChI InChI=1S/C16H20O6/c1-4-5-8-6-11-14(21-8)9-7-10(19-2)15(20-3)13(17)12(9)16(18)22-11/h7-8,11,14,17H,4-6H2,1-3H3/t8-,11+,14+/m0/s1/i6+1,11+1
InChIKey VAYQNUBOZLPGDH-BOPCSPMRSA-N
Mol Weight 310.31 g/mol
Molecular Formula C1413C2H20O6
Exact Mass 310.132698 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7luzBRumih8
Name [9,10-13C2]-Monocerin
Comments Original formula: C14[13C]2H20O6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O6
InChI InChI=1S/C16H20O6/c1-4-5-8-6-11-14(21-8)9-7-10(19-2)15(20-3)13(17)12(9)16(18)22-11/h7-8,11,14,17H,4-6H2,1-3H3/t8-,11+,14+/m0/s1/i6+1,11+1
InChIKey VAYQNUBOZLPGDH-BOPCSPMRSA-N
Molecular Weight 310.315 g/mol
SMILES [13C@]12([H])OC(c3c([C@]1(O[C@@](CCC)([13CH2]2)[H])[H])cc(c(c3O)OC)OC)=O
SPLASH splash10-0cdi-2089000000-4191c2a12fa7436e8e1e
Source of Spectrum F6-43-730-5
Wiley ID 1550627