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3H-Pyrrole-3,3-dicarbonitrile, 4-ethoxy-2,4-dihydro-2,2-dimethyl-5-phenyl-
SpectraBase Compound ID 7lFA4fvfID3
InChI InChI=1S/C16H17N3O/c1-4-20-14-13(12-8-6-5-7-9-12)19-15(2,3)16(14,10-17)11-18/h5-9,14H,4H2,1-3H3
InChIKey UIRUCOXIUIWJTL-UHFFFAOYSA-N
Mol Weight 267.33 g/mol
Molecular Formula C16H17N3O
Exact Mass 267.137162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9iNdmnKwPc7
Name 3H-Pyrrole-3,3-dicarbonitrile, 4-ethoxy-2,4-dihydro-2,2-dimethyl-5-phenyl-
Alternate Name(s) 3-Ethoxy-5,5-dimethyl-2-phenyl-1-pyrrolin-4,4-dicarbonitrile 4-Ethoxy-2,2-dimethyl-5-phenyl-2,4-dihydro-3H-pyrrole-3,3-dicarbonitrile
CAS Registry Number 59857-76-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N3O
InChI InChI=1S/C16H17N3O/c1-4-20-14-13(12-8-6-5-7-9-12)19-15(2,3)16(14,10-17)11-18/h5-9,14H,4H2,1-3H3
InChIKey UIRUCOXIUIWJTL-UHFFFAOYSA-N
Molecular Weight 267.332 g/mol
SMILES C1(C(N=C(C1OCC)c1ccccc1)(C)C)(C#N)C#N
SPLASH splash10-0002-0900000000-b54aff81dc2882ef2082
Source of Spectrum H-59-1025-11
Wiley ID 1271267