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3,3,8-Trimethyl-6-oxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SpectraBase Compound ID 4c1QFMV5pLu
InChI InChI=1S/C12H14N2O2/c1-7-10-6-16-12(2,3)4-8(10)9(5-13)11(15)14-7/h4,6H2,1-3H3,(H,14,15)
InChIKey WQRQZMQBLXFWRN-UHFFFAOYSA-N
Mol Weight 218.26 g/mol
Molecular Formula C12H14N2O2
Exact Mass 218.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ErDAtMzp1j1
Name 3,3,8-Trimethyl-6-oxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CAS Registry Number 126961-52-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N2O2
InChI InChI=1S/C12H14N2O2/c1-7-10-6-16-12(2,3)4-8(10)9(5-13)11(15)14-7/h4,6H2,1-3H3,(H,14,15)
InChIKey WQRQZMQBLXFWRN-UHFFFAOYSA-N
Molecular Weight 218.256 g/mol
SMILES N1C(=C2C(=C(C1=O)C#N)CC(OC2)(C)C)C
SPLASH splash10-03di-6910000000-6c9c5b2bcd177165fef8
Source of Spectrum AD-0-2532-0
Synonyms 1H-Pyrano[3,4-c]pyridine-5-carbonitrile, 3,4,6,7-tetrahydro-3,3,8-trimethyl-6-oxo- 3,3,8-trimethyl-6-oxidanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile 3,3,8-trimethyl-6-oxo-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile 6-keto-3,3,8-trimethyl-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Wiley ID 1426392