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4-Methylbenzyl isocyanate
SpectraBase Compound ID ES5X4GU4EiV
InChI InChI=1S/C9H9NO/c1-8-2-4-9(5-3-8)6-10-7-11/h2-5H,6H2,1H3
InChIKey KNYDWDHLGFMGCO-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 7WC7yrtqH9k
Name 1-(isocyanatomethyl)-4-methylbenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO
InChI InChI=1S/C9H9NO/c1-8-2-4-9(5-3-8)6-10-7-11/h2-5H,6H2,1H3
InChIKey KNYDWDHLGFMGCO-UHFFFAOYSA-N
Molecular Weight 147.177 g/mol
SMILES c1c(ccc(C)c1)CN=C=O
SPLASH splash10-0kav-9600000000-7c68a0a2539e8e14ad43
Synonyms Benzene, 1-isocyanatomethyl-4-methyl-
Wiley ID 1447962