| SpectraBase Compound ID | 1IOh8tRsRYH |
|---|---|
| InChI | InChI=1S/C8H18S/c1-4-5-6-7-8(2)9-3/h8H,4-7H2,1-3H3 |
| InChIKey | PXVHLVQEVACWLZ-UHFFFAOYSA-N |
| Mol Weight | 146.29 g/mol |
| Molecular Formula | C8H18S |
| Exact Mass | 146.112922 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ITxAlwynrTr |
|---|---|
| Name | Heptane, 2-(methylthio)- |
| CAS Registry Number | 54063-12-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H18S |
| InChI | InChI=1S/C8H18S/c1-4-5-6-7-8(2)9-3/h8H,4-7H2,1-3H3 |
| InChIKey | PXVHLVQEVACWLZ-UHFFFAOYSA-N |
| Molecular Weight | 146.292 g/mol |
| SMILES | C(C(SC)C)CCCC |
| SPLASH | splash10-0a6v-9100000000-3470074494c2548e8541 |
| Source of Spectrum | AA-0-836-2 |
| Synonyms | 2-(Methylsulfanyl)heptane 2-(Methylthio)heptane |
| Wiley ID | 9215 |