| SpectraBase Compound ID | IFxzQA2OTj4 |
|---|---|
| InChI | InChI=1S/C7H13NS/c1-7(2)4-3-5-8-6-9/h7H,3-5H2,1-2H3 |
| InChIKey | CZWUENKYXFGDIG-UHFFFAOYSA-N |
| Mol Weight | 143.25 g/mol |
| Molecular Formula | C7H13NS |
| Exact Mass | 143.076871 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 32LW5ppC3f5 |
|---|---|
| Name | 1-Isothiocyanato-4-methylpentane |
| Alternate Name(s) | 4-Methylpentyl isothiocyanate |
| CAS Registry Number | 17608-07-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H13NS |
| InChI | InChI=1S/C7H13NS/c1-7(2)4-3-5-8-6-9/h7H,3-5H2,1-2H3 |
| InChIKey | CZWUENKYXFGDIG-UHFFFAOYSA-N |
| Molecular Weight | 143.248 g/mol |
| SMILES | C(N=C=S)CCC(C)C |
| SPLASH | splash10-0006-9200000000-c3f418a9388511e8a58e |
| Source of Spectrum | LQ-1992-4021-0 |
| Wiley ID | 151692 |