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2,2,5,5-Tetramethyl-2,3,6,12-tetrahydro-1H,5H-4b,11,12-triaza-chrysen-4-one
SpectraBase Compound ID fQUpc7aZYt
InChI InChI=1S/C19H23N3O/c1-18(2)10-14-16(15(23)11-18)22-17(21-20-14)13-8-6-5-7-12(13)9-19(22,3)4/h5-8,20H,9-11H2,1-4H3
InChIKey BCPMTSHCAZSNCI-UHFFFAOYSA-N
Mol Weight 309.41 g/mol
Molecular Formula C19H23N3O
Exact Mass 309.184112 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4FWM1H1v9dH
Name 2,2,5,5-Tetramethyl-2,3,6,12-tetrahydro-1H,5H-4B,11,12-triaza-chrysen-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.184112372 u
Formula C19H23N3O
InChI InChI=1S/C19H23N3O/c1-18(2)10-14-16(15(23)11-18)22-17(21-20-14)13-8-6-5-7-12(13)9-19(22,3)4/h5-8,20H,9-11H2,1-4H3
InChIKey BCPMTSHCAZSNCI-UHFFFAOYSA-N
Molecular Weight 309.413 g/mol
SMILES C=1C=C2CC(N3C(=NNC4=C3C(CC(C)(C)C4)=O)C2=CC1)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.858425