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Trocimine

View entire compound with spectra: 1 NMR, and 1 FTIR

Trocimine
SpectraBase Compound ID GT7aSwuiref
InChI InChI=1S/C17H25NO4/c1-20-14-11-13(12-15(21-2)16(14)22-3)17(19)18-9-7-5-4-6-8-10-18/h11-12H,4-10H2,1-3H3
InChIKey WZSDNEJJUSYNSG-UHFFFAOYSA-N
Mol Weight 307.39 g/mol
Molecular Formula C17H25NO4
Exact Mass 307.178358 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DHw0A3BdQCw
Name Trocimine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 307.178358285 u
Formula C17H25NO4
InChI InChI=1S/C17H25NO4/c1-20-14-11-13(12-15(21-2)16(14)22-3)17(19)18-9-7-5-4-6-8-10-18/h11-12H,4-10H2,1-3H3
InChIKey WZSDNEJJUSYNSG-UHFFFAOYSA-N
Molecular Weight 307.390 g/mol
SMILES COC1=C(OC)C(OC)=CC(=C1)C(N1CCCCCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952416