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Malonic acid, 2-(2-oxocycloheptyl)methyl-, dimethyl ester
SpectraBase Compound ID 9Pyu3S4UGKy
InChI InChI=1S/C13H20O5/c1-17-12(15)10(13(16)18-2)8-9-6-4-3-5-7-11(9)14/h9-10H,3-8H2,1-2H3
InChIKey TZEZAVHNIMOIQQ-UHFFFAOYSA-N
Mol Weight 256.3 g/mol
Molecular Formula C13H20O5
Exact Mass 256.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YGCjVsW3Ak
Name Malonic acid, 2-(2-oxocycloheptyl)methyl-, dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O5
InChI InChI=1S/C13H20O5/c1-17-12(15)10(13(16)18-2)8-9-6-4-3-5-7-11(9)14/h9-10H,3-8H2,1-2H3
InChIKey TZEZAVHNIMOIQQ-UHFFFAOYSA-N
Molecular Weight 256.298 g/mol
SMILES C1(=O)C(CCCCC1)CC(C(=O)OC)C(=O)OC
SPLASH splash10-05qa-6900000000-e08b45c2e84e6f8772b1
Synonyms 2-[(2-ketocycloheptyl)methyl]malonic acid dimethyl ester 2-[(2-oxocycloheptyl)methyl]propanedioic acid dimethyl ester Dimethyl 2-[(2-oxidanylidenecycloheptyl)methyl]propanedioate Dimethyl 2-[(2-oxocycloheptyl)methyl]malonate Dimethyl 2-[(2-oxocycloheptyl)methyl]propanedioate
Wiley ID 1491075