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3-Cyclohexyl-3-(1',3'-dioxo-1',3'-dihydro-2H-isoindol-2'-yl)-propanoic Acid

View entire compound with spectra: 1 MS (GC)

3-Cyclohexyl-3-(1',3'-dioxo-1',3'-dihydro-2H-isoindol-2'-yl)-propanoic Acid
SpectraBase Compound ID B7ypbRw40IS
InChI InChI=1S/C17H19NO4/c19-15(20)10-14(11-6-2-1-3-7-11)18-16(21)12-8-4-5-9-13(12)17(18)22/h4-5,8-9,11,14H,1-3,6-7,10H2,(H,19,20)
InChIKey DJAPLAHGNFJJPH-UHFFFAOYSA-N
Mol Weight 301.34 g/mol
Molecular Formula C17H19NO4
Exact Mass 301.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DEnWlDJUnYs
Name 3-Cyclohexyl-3-(1',3'-dioxo-1',3'-dihydro-2H-isoindol-2'-yl)-propanoic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO4
InChI InChI=1S/C17H19NO4/c19-15(20)10-14(11-6-2-1-3-7-11)18-16(21)12-8-4-5-9-13(12)17(18)22/h4-5,8-9,11,14H,1-3,6-7,10H2,(H,19,20)
InChIKey DJAPLAHGNFJJPH-UHFFFAOYSA-N
Molecular Weight 301.342 g/mol
SMILES OC(CC(N1C(c2ccccc2C1=O)=O)C1CCCCC1)=O
SPLASH splash10-0v4i-0891000000-b1418a878e02c8cd2b67
Source of Spectrum QE-15-7890-5a
Wiley ID 1692971