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(S)-5-[4'-Chloro-2'-butenyl]-2,5-dihydro-2-isopropyl-3,6-dimethoxypyrazine

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(S)-5-[4'-Chloro-2'-butenyl]-2,5-dihydro-2-isopropyl-3,6-dimethoxypyrazine
SpectraBase Compound ID 9HvafWZNGUE
InChI InChI=1S/C13H21ClN2O2/c1-9(2)11-13(18-4)15-10(7-5-6-8-14)12(16-11)17-3/h5-6,9-11H,7-8H2,1-4H3/b6-5+/t10?,11-/m0/s1
InChIKey WMLVKOCRULLUGT-OSKKZVILSA-N
Mol Weight 272.78 g/mol
Molecular Formula C13H21ClN2O2
Exact Mass 272.129156 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G0l64zunT00
Name (S)-5-[4'-Chloro-2'-butenyl]-2,5-dihydro-2-isopropyl-3,6-dimethoxypyrazine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.129155622 u
Formula C13H21ClN2O2
InChI InChI=1S/C13H21ClN2O2/c1-9(2)11-13(18-4)15-10(7-5-6-8-14)12(16-11)17-3/h5-6,9-11H,7-8H2,1-4H3/b6-5+/t10?,11-/m0/s1
InChIKey WMLVKOCRULLUGT-OSKKZVILSA-N
SMILES C1(=N[C@](C(=NC1C\C=C\CCl)OC)(C(C)C)[H])OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927415