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8-Methoxy-deoxyvasicinone

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8-Methoxy-deoxyvasicinone
SpectraBase Compound ID 9XwFZkpk4m
InChI InChI=1S/C12H12N2O2/c1-16-9-5-2-4-8-11(9)13-10-6-3-7-14(10)12(8)15/h2,4-5H,3,6-7H2,1H3
InChIKey HSHKBYVDIBMYSJ-UHFFFAOYSA-N
Mol Weight 216.24 g/mol
Molecular Formula C12H12N2O2
Exact Mass 216.089878 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LFud8dblQPs
Name 8-Methoxy-deoxyvasicinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.089877632 u
Formula C12H12N2O2
InChI InChI=1S/C12H12N2O2/c1-16-9-5-2-4-8-11(9)13-10-6-3-7-14(10)12(8)15/h2,4-5H,3,6-7H2,1H3
InChIKey HSHKBYVDIBMYSJ-UHFFFAOYSA-N
Molecular Weight 216.240 g/mol
SMILES C1(N2C(=NC3=C(C=CC=C13)OC)CCC2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.811275