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2,6-Dimethylphenyl isocyanate
SpectraBase Compound ID GIsPHUdlGtM
InChI InChI=1S/C9H9NO/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3
InChIKey YQLRKXVEALTVCZ-UHFFFAOYSA-N
Mol Weight 147.18 g/mol
Molecular Formula C9H9NO
Exact Mass 147.068414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9m3SXBtPNob
Name 2,6-Dimethylphenyl isocyanate
Alternate Name(s) 2-isocyanato-1,3-dimethyl-benzene Benzene, 2-isocyanato-1,3-dimethyl-
CAS Registry Number 28556-81-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO
InChI InChI=1S/C9H9NO/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3
InChIKey YQLRKXVEALTVCZ-UHFFFAOYSA-N
Molecular Weight 147.177 g/mol
SMILES c1(c(cccc1C)C)N=C=O
SPLASH splash10-014j-9800000000-0d389aa024a4780a4283
Source of Spectrum D8-333-51-0
Wiley ID 1516750