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2-[[(4S,5R)-5-[(1R)-1,2-bis(oxidanyl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]isoindole-1,3-dione
SpectraBase Compound ID Cx95Gd5Z5RV
InChI InChI=1S/C16H19NO6/c1-16(2)22-12(13(23-16)11(19)8-18)7-17-14(20)9-5-3-4-6-10(9)15(17)21/h3-6,11-13,18-19H,7-8H2,1-2H3/t11-,12+,13-/m1/s1
InChIKey NGUKMHWORIAKDF-FRRDWIJNSA-N
Mol Weight 321.33 g/mol
Molecular Formula C16H19NO6
Exact Mass 321.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1PIGctxCSKS
Name 2-[[(4S,5R)-5-[(1R)-1,2-bis(oxidanyl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]isoindole-1,3-dione
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Formula C16H19NO6
InChI InChI=1S/C16H19NO6/c1-16(2)22-12(13(23-16)11(19)8-18)7-17-14(20)9-5-3-4-6-10(9)15(17)21/h3-6,11-13,18-19H,7-8H2,1-2H3/t11-,12+,13-/m1/s1
InChIKey NGUKMHWORIAKDF-FRRDWIJNSA-N
Molecular Weight 321.329 g/mol
SMILES O[C@](CO)([C@@]1([C@](CN2C(c3ccccc3C2=O)=O)(OC(C)(C)O1)[H])[H])[H]
SPLASH splash10-0bt9-9300000000-bb0b74bf5f7b1a241375
Source of Spectrum KC-0-74-3
Synonyms 2-[[(4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]isoindole-1,3-dione 2-[[(4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]isoindoline-1,3-dione 2-[[(4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]isoindoline-1,3-quinone
Wiley ID 786979