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2-Carboxymethyl-4,5-dimethylindan-1-one
SpectraBase Compound ID BGBC78xN9TN
InChI InChI=1S/C13H14O3/c1-7-3-4-10-11(8(7)2)5-9(13(10)16)6-12(14)15/h3-4,9H,5-6H2,1-2H3,(H,14,15)
InChIKey XJHFALJBHIEIAL-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GS83RTWowwb
Name 2-Carboxymethyl-4,5-dimethylindan-1-one
Alternate Name(s) (4,5-dimethyl-1-oxo-2,3-dihydro-1H-inden-2-yl)acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-7-3-4-10-11(8(7)2)5-9(13(10)16)6-12(14)15/h3-4,9H,5-6H2,1-2H3,(H,14,15)
InChIKey XJHFALJBHIEIAL-UHFFFAOYSA-N
Molecular Weight 218.252 g/mol
SMILES OC(CC1Cc2c(C1=O)ccc(c2C)C)=O
SPLASH splash10-0aor-0910000000-d8a88e7458ac37271fe6
Source of Spectrum AH-127-197-15
Wiley ID 1217788