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Pyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione, 4,4-dicyclopropyltetrahydro-2-phenyl-6-(2-pyridinyl)-, (3a.alpha.,6.beta.,6a.alpha.)-
SpectraBase Compound ID E3zBQF94L2E
InChI InChI=1S/C23H23N3O2/c27-21-18-19(22(28)26(21)16-6-2-1-3-7-16)23(14-9-10-14,15-11-12-15)25-20(18)17-8-4-5-13-24-17/h1-8,13-15,18-20,25H,9-12H2
InChIKey QHKRBIDFHURFFI-UHFFFAOYSA-N
Mol Weight 373.46 g/mol
Molecular Formula C23H23N3O2
Exact Mass 373.179027 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GogQdA8HXg
Name Pyrrolo[3,4-C]pyrrole-1,3(2H,3ah)-dione, 4,4-dicyclopropyltetrahydro-2-phenyl-6-(2-pyridinyl)-, (3A.alpha.,6.beta.,6A.alpha.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.179026991 u
Formula C23H23N3O2
InChI InChI=1S/C23H23N3O2/c27-21-18-19(22(28)26(21)16-6-2-1-3-7-16)23(14-9-10-14,15-11-12-15)25-20(18)17-8-4-5-13-24-17/h1-8,13-15,18-20,25H,9-12H2
InChIKey QHKRBIDFHURFFI-UHFFFAOYSA-N
Molecular Weight 373.456 g/mol
SMILES C12C(C(=O)N(C2=O)C2=CC=CC=C2)C(C2=NC=CC=C2)NC1(C1CC1)C1CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.903228