Debug Info

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5WvlJJBhpOi
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5WvlJJBhpOi
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2,5-Dimethoxy-4-methyl-benzonitrile
SpectraBase Compound ID GYTAhmX4rCf
InChI InChI=1S/C10H11NO2/c1-7-4-10(13-3)8(6-11)5-9(7)12-2/h4-5H,1-3H3
InChIKey CUMGDRYNFPAHFM-UHFFFAOYSA-N
Mol Weight 177.2 g/mol
Molecular Formula C10H11NO2
Exact Mass 177.078979 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5WvlJJBhpOi
Name 2,5-Dimethoxy-4-methylbenzonitrile
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 177.078978596 u
Formula C10H11NO2
InChI InChI=1S/C10H11NO2/c1-7-4-10(13-3)8(6-11)5-9(7)12-2/h4-5H,1-3H3
InChIKey CUMGDRYNFPAHFM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 177.203 g/mol
Nominal Mass 177 u
Quality 999
Retention Index 1318
SMILES C=1(C(=CC(=C(C1)C)OC)C#N)OC
SPLASH splash10-03fr-1900000000-e928b96e7268c2f7549d
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_029670
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