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Isomethadone-secondary product

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Isomethadone-secondary product
SpectraBase Compound ID 6Og7WKRu3N5
InChI InChI=1S/C18H23N/c1-15(14-19(2)3)18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18H,14H2,1-3H3
InChIKey CKEGLXNHIPPLOH-UHFFFAOYSA-N
Mol Weight 253.39 g/mol
Molecular Formula C18H23N
Exact Mass 253.18305 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2NxHc8Nhul8
Name Isomethadone-secondary product
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.183049745 u
Formula C18H23N
InChI InChI=1S/C18H23N/c1-15(14-19(2)3)18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18H,14H2,1-3H3
InChIKey CKEGLXNHIPPLOH-UHFFFAOYSA-N
Molecular Weight 253.389 g/mol
SMILES c1ccc(cc1)C(c1ccccc1)C(C)CN(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.86289