| SpectraBase Compound ID | IxEOGkEFxWJ |
|---|---|
| InChI | InChI=1S/C9H19NO/c1-4-5-6-7-8-10(3)9(2)11/h4-8H2,1-3H3 |
| InChIKey | BVIROPYMJFXCCB-UHFFFAOYSA-N |
| Mol Weight | 157.26 g/mol |
| Molecular Formula | C9H19NO |
| Exact Mass | 157.146664 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | C7cHntttQta |
|---|---|
| Name | Poly(hexyl isocyanate) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.146664235 u |
| Formula | C9H19NO |
| InChI | InChI=1S/C9H19NO/c1-4-5-6-7-8-10(3)9(2)11/h4-8H2,1-3H3 |
| InChIKey | BVIROPYMJFXCCB-UHFFFAOYSA-N |
| Molecular Weight | 157.257 g/mol |
| Nominal Mass | 157 u |
| SMILES | C(=O)(N(CCCCCC)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.742274 |