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Cyclohexanecarboxylic acid, 2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-, trans-
SpectraBase Compound ID 4m0Fgh2g29l
InChI InChI=1S/C16H17NO4/c18-14-12-7-3-4-8-13(12)15(19)17(14)9-10-5-1-2-6-11(10)16(20)21/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,20,21)/t10-,11+/m0/s1
InChIKey VTBUPFPBYWYTQE-WDEREUQCSA-N
Mol Weight 287.31 g/mol
Molecular Formula C16H17NO4
Exact Mass 287.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3TnS8WTPKyL
Name Cyclohexanecarboxylic acid, 2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-, trans-
Alternate Name(s) (1R,2R)-2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexanecarboxylic acid trans-2-(Phthalimidomethyl)cyclohexanecarboxylic acid
CAS Registry Number 84585-70-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO4
InChI InChI=1S/C16H17NO4/c18-14-12-7-3-4-8-13(12)15(19)17(14)9-10-5-1-2-6-11(10)16(20)21/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,20,21)/t10-,11+/m0/s1
InChIKey VTBUPFPBYWYTQE-WDEREUQCSA-N
Molecular Weight 287.315 g/mol
SMILES OC([C@]1([C@](CN2C(c3ccccc3C2=O)=O)(CCCC1)[H])[H])=O
SPLASH splash10-03dl-1950000000-1453efe7c5a7363d8354
Source of Spectrum KC-1982-2569-0
Wiley ID 1290801