| SpectraBase Compound ID | 9NAHdcVfQKv |
|---|---|
| InChI | InChI=1S/C17H21BrO4/c18-12-4-5-13-22-17(21)11-10-16(20)15(19)9-8-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2 |
| InChIKey | HRZBNNFHKJFFQX-UHFFFAOYSA-N |
| Mol Weight | 369.26 g/mol |
| Molecular Formula | C17H21BrO4 |
| Exact Mass | 368.062322 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6LuQrFD91Gy |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C17H21O4Br |
| InChI | InChI=1S/C17H21BrO4/c18-12-4-5-13-22-17(21)11-10-16(20)15(19)9-8-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2 |
| InChIKey | HRZBNNFHKJFFQX-UHFFFAOYSA-N |
| Molecular Weight | 368.0617 |
| SMILES | c1(CCC(C(CCC(OCCCCBr)=O)=O)=O)ccccc1 |
| SPLASH | splash10-0a4u-7900000000-a0ad052e881c3a759e6b |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |