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1,5-Diisocyanato-2-methylpentane

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

1,5-Diisocyanato-2-methylpentane
SpectraBase Compound ID DHEvMh4iiZi
InChI InChI=1S/C8H12N2O2/c1-8(5-10-7-12)3-2-4-9-6-11/h8H,2-5H2,1H3
InChIKey AHBNSOZREBSAMG-UHFFFAOYSA-N
Mol Weight 168.2 g/mol
Molecular Formula C8H12N2O2
Exact Mass 168.089878 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6KGFJy2fZ8g
Name 1,5-Diisocyanato-2-methylpentane
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 369446
CAS Registry Number 34813-62-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12N2O2
InChI InChI=1S/C8H12N2O2/c1-8(5-10-7-12)3-2-4-9-6-11/h8H,2-5H2,1H3
InChIKey AHBNSOZREBSAMG-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_007895