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isothiocyanic acid, cyclohexyl ester
SpectraBase Compound ID 5K8sBjpnZxg
InChI InChI=1S/C7H11NO/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2
InChIKey KQWGXHWJMSMDJJ-UHFFFAOYSA-N
Mol Weight 125.17 g/mol
Molecular Formula C7H11NO
Exact Mass 125.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2K2WiDUFl2
Name Cyclohexane, isocyanato-
CAS Registry Number 3173-53-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11NO
InChI InChI=1S/C7H11NO/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2
InChIKey KQWGXHWJMSMDJJ-UHFFFAOYSA-N
Molecular Weight 125.171 g/mol
SMILES C1(N=C=O)CCCCC1
SPLASH splash10-067m-9000000000-2afe2fb0bff5a07eba59
Source of Spectrum HE-1986-203-0
Synonyms Isocyanatocyclohexane Cyclohexyl ester of isocyanic acid Isocyanic acid, cyclohexyl ester Cyclohexyl isocyanate AI3-28283 EINECS 221-639-3 NSC 87419 UN2488
Wiley ID 1129403