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4-Chloro-2-(diethylamino)-4-methoxy-5H-1,3-diazepine

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

4-Chloro-2-(diethylamino)-4-methoxy-5H-1,3-diazepine
SpectraBase Compound ID 3g1rgR2bbkx
InChI InChI=1S/C10H16ClN3O/c1-4-14(5-2)10-12-7-8(11)6-9(13-10)15-3/h7H,4-6H2,1-3H3
InChIKey BTHHBSTVNVKMNR-UHFFFAOYSA-N
Mol Weight 229.71 g/mol
Molecular Formula C10H16ClN3O
Exact Mass 229.09819 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1qxyKHnOP2v
Name 4-Chloro-2-(diethylamino)-4-methoxy-5H-1,3-diazepine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 229.098189846 u
Formula C10H16ClN3O
InChI InChI=1S/C10H16ClN3O/c1-4-14(5-2)10-12-7-8(11)6-9(13-10)15-3/h7H,4-6H2,1-3H3
InChIKey BTHHBSTVNVKMNR-UHFFFAOYSA-N
Molecular Weight 229.711 g/mol
SMILES C1(=NC=C(CC(OC)=N1)Cl)N(CC)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91483