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1,1,3,3-Tetramethylbutyl isocyanate

View entire compound with spectra: 2 NMR, 3 FTIR, and 1 Raman

1,1,3,3-Tetramethylbutyl isocyanate
SpectraBase Compound ID 3e01NpoxVT2
InChI InChI=1S/C9H17NO/c1-8(2,3)6-9(4,5)10-7-11/h6H2,1-5H3
InChIKey XOHBENIMDRFUIH-UHFFFAOYSA-N
Mol Weight 155.24 g/mol
Molecular Formula C9H17NO
Exact Mass 155.131014 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AQ7JSQis0Iy
Name 1,1,3,3-Tetramethylbutyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 428345
CAS Registry Number 1611-57-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H17NO
InChI InChI=1S/C9H17NO/c1-8(2,3)6-9(4,5)10-7-11/h6H2,1-5H3
InChIKey XOHBENIMDRFUIH-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms tert-Octyl isocyanate
Wiley ID SIAL_1HNMR_009404