| SpectraBase Compound ID | LpnXK4RjgHN |
|---|---|
| InChI | InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2 |
| InChIKey | CHVJITGCYZJHLR-UHFFFAOYSA-N |
| Mol Weight | 92.14 g/mol |
| Molecular Formula | C7H8 |
| Exact Mass | 92.0626 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B3XZIhAxxdw |
|---|---|
| Name | Cycloheptdtriene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H8 |
| InChI | InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2 |
| InChIKey | CHVJITGCYZJHLR-UHFFFAOYSA-N |
| Instrument Name | Kratos MS9/50 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/rcm.1290020509 |
| Molecular Weight | 92.141 g/mol |
| SMILES | C=1C=CC=CCC1 |
| SPLASH | splash10-02ti-9000000000-01aba0556777a71107e5 |
| Source of Spectrum | RCM-2-99-Cycloheptdtriene |
| Wiley ID | 1835532 |