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1H-isoindole-5-carboxylic acid, 2,3-dihydro-2-[[4-(hydroxymethyl)cyclohexyl]methyl]-1,3-dioxo-
SpectraBase Compound ID C7gUykWH84j
InChI InChI=1S/C17H19NO5/c19-9-11-3-1-10(2-4-11)8-18-15(20)13-6-5-12(17(22)23)7-14(13)16(18)21/h5-7,10-11,19H,1-4,8-9H2,(H,22,23)
InChIKey HKAONYLLAYVPOR-UHFFFAOYSA-N
Mol Weight 317.34 g/mol
Molecular Formula C17H19NO5
Exact Mass 317.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ILNd6Q0zGu1
Name 1H-isoindole-5-carboxylic acid, 2,3-dihydro-2-[[4-(hydroxymethyl)cyclohexyl]methyl]-1,3-dioxo-
Alternate Name(s) 2-((4-(hydroxymethyl)cyclohexyl)methyl)-1,3-dioxoisoindoline-5-carboxylic acid 2-{[4-(hydroxymethyl)cyclohexyl]methyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid 2-[[4-(hydroxymethyl)cyclohexyl]methyl]-1,3-dioxo-5-isoindolecarboxylic acid 2-[[4-(hydroxymethyl)cyclohexyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid 2-[[4-(hydroxymethyl)cyclohexyl]methyl]-1,3-dioxo-isoindoline-5-carboxylic acid 2-[[4-(hydroxymethyl)cyclohexyl]methyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid
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Formula C17H19NO5
InChI InChI=1S/C17H19NO5/c19-9-11-3-1-10(2-4-11)8-18-15(20)13-6-5-12(17(22)23)7-14(13)16(18)21/h5-7,10-11,19H,1-4,8-9H2,(H,22,23)
InChIKey HKAONYLLAYVPOR-UHFFFAOYSA-N
Molecular Weight 317.341 g/mol
SMILES OCC1CCC(CN2C(c3ccc(C(O)=O)cc3C2=O)=O)CC1
SPLASH splash10-066u-9643000000-7a35d6142018a8bdf74f
Source of Spectrum JX-2015-3-151
Wiley ID 1723744