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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 3OpKf3WS0lr
Name MALONIC ACID, 2-(2-OXOCYCLOHEPTYL)METHYL-, DIMETHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name 8230
Molecular Weight 256.1305
SMILES C1CC(=O)C(CC(C(OC)=O)C(OC)=O)CCC1
SPLASH splash10-05qa-6900000000-94a7f4932a4647799bf6
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany