| SpectraBase Compound ID | 1pxBWN2Pwn5 |
|---|---|
| InChI | InChI=1S/C17H14Br2O2/c18-14-8-4-12(5-9-14)16(20)2-1-3-17(21)13-6-10-15(19)11-7-13/h4-11H,1-3H2 |
| InChIKey | SMEGULIXMHGBBP-UHFFFAOYSA-N |
| Mol Weight | 410.11 g/mol |
| Molecular Formula | C17H14Br2O2 |
| Exact Mass | 407.936056 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5KKboRxi1dV |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C17H14Br2O2 |
| InChI | InChI=1S/C17H14Br2O2/c18-14-8-4-12(5-9-14)16(20)2-1-3-17(21)13-6-10-15(19)11-7-13/h4-11H,1-3H2 |
| InChIKey | SMEGULIXMHGBBP-UHFFFAOYSA-N |
| Molecular Weight | 407.9356 |
| SMILES | c1(Br)ccc(C(CCCC(c2ccc(Br)cc2)=O)=O)cc1 |
| SPLASH | splash10-0540-3920100000-e81a193791a74cd42109 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |