| SpectraBase Compound ID | H33VHE0WCX7 |
|---|---|
| InChI | InChI=1S/C17H12/c1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13/h2-10H,1H3 |
| InChIKey | KBSPJIWZDWBDGM-UHFFFAOYSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C17H12 |
| Exact Mass | 216.0939 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HDsgZhSKCZU |
|---|---|
| Name | PYRENE, 1-METHYL-D- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C17H11D |
| InChI | InChI=1S/C17H12/c1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13/h2-10H,1H3 |
| InChIKey | KBSPJIWZDWBDGM-UHFFFAOYSA-N |
| Molecular Weight | 216.0936 |
| SMILES | c1c2cccc3c2c2c(ccc(C)c2cc3)c1 |
| SPLASH | splash10-014i-6390000000-5d053d8fb61fc1ada58c |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |