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SpectraBase Compound ID | FT6BxGZIDql |
---|---|
InChI | InChI=1S/C8H6ClNO/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H,5H2 |
InChIKey | OBYMZHLTKVXPQF-UHFFFAOYSA-N |
Mol Weight | 167.59 g/mol |
Molecular Formula | C8H6ClNO |
Exact Mass | 167.013792 g/mol |
SpectraBase Spectrum ID | C3t2v6UaFLF |
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Name | 4-(Chloromethyl)phenyl isocyanate |
Source of Sample | Sigma-Aldrich Co. LLC. |
Catalog Number | 375047 |
CAS Registry Number | 29173-65-7 |
Copyright | Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C8H6ClNO |
InChI | 1S/C8H6ClNO/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H,5H2 |
InChIKey | OBYMZHLTKVXPQF-UHFFFAOYSA-N |
Observed nucleus | 1H |
Purity | 97% |
Solvent | CDCl3 & DMSO-d6 |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Wiley ID | SIAL_1HNMR_007995 |