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5-Hydroxy-3-(4-methoxyphenyl)-4-methyl-7-oxo-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
SpectraBase Compound ID JuxczOOs5jf
InChI InChI=1S/C18H16N4O3/c1-11-14(12-3-5-13(25-2)6-4-12)17(9-20,10-21)16(8-19)7-18(11,24)22-15(16)23/h3-6,11,14,24H,7H2,1-2H3,(H,22,23)
InChIKey LSFCELFCWAUWCH-UHFFFAOYSA-N
Mol Weight 336.35 g/mol
Molecular Formula C18H16N4O3
Exact Mass 336.12224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECyVSUt9Kec
Name 5-Hydroxy-3-(4-methoxyphenyl)-4-methyl-7-oxo-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
Alternate Name(s) 3-(4-Methoxyphenyl)-4-methyl-5-oxidanyl-7-oxidanylidene-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile 5-Hydroxy-7-keto-3-(4-methoxyphenyl)-4-methyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile 6-Azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile, 5-hydroxy-3-(4-methoxyphenyl)-4-methyl-7-oxo-
CAS Registry Number 307965-67-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N4O3
InChI InChI=1S/C18H16N4O3/c1-11-14(12-3-5-13(25-2)6-4-12)17(9-20,10-21)16(8-19)7-18(11,24)22-15(16)23/h3-6,11,14,24H,7H2,1-2H3,(H,22,23)
InChIKey LSFCELFCWAUWCH-UHFFFAOYSA-N
Molecular Weight 336.351 g/mol
SMILES OC12C(C(C(C(C(N2)=O)(C1)C#N)(C#N)C#N)c1ccc(cc1)OC)C
SPLASH splash10-0007-1982000000-9ad28d6467592956ce6a
Wiley ID 1457570