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Cycloundecanecarboxylic acid, 5-nitro-2,11-dioxo-, phenylmethyl ester
SpectraBase Compound ID 3c2GKNcWXxt
InChI InChI=1S/C19H23NO6/c21-16-10-6-2-5-9-15(20(24)25)11-12-17(22)18(16)19(23)26-13-14-7-3-1-4-8-14/h1,3-4,7-8,15,18H,2,5-6,9-13H2
InChIKey JUBNKAUQCOWPKK-UHFFFAOYSA-N
Mol Weight 361.39 g/mol
Molecular Formula C19H23NO6
Exact Mass 361.152537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hn1mjq3tfFZ
Name Cycloundecanecarboxylic acid, 5-nitro-2,11-dioxo-, phenylmethyl ester
Alternate Name(s) Benzyl 5-nitro-2,11-dioxocycloundecane-1-carboxylate benzyl 5-nitro-2,11-dioxocycloundecanecarboxylate
CAS Registry Number 86572-45-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23NO6
InChI InChI=1S/C19H23NO6/c21-16-10-6-2-5-9-15(20(24)25)11-12-17(22)18(16)19(23)26-13-14-7-3-1-4-8-14/h1,3-4,7-8,15,18H,2,5-6,9-13H2
InChIKey JUBNKAUQCOWPKK-UHFFFAOYSA-N
Molecular Weight 361.394 g/mol
SMILES C1(N(=O)=O)CCC(C(C(OCc2ccccc2)=O)C(=O)CCCCC1)=O
SPLASH splash10-0006-9100000000-9475ad7c1f33f522aa04
Source of Spectrum H-66-857-0
Wiley ID 1348946