| SpectraBase Compound ID | 1CzbVg5kqQN |
|---|---|
| InChI | InChI=1S/C12H17BrO3/c13-11-5-8-3-9(4-10(8,6-11)7-14)12(11)15-1-2-16-12/h8-9,14H,1-7H2 |
| InChIKey | AHXMMNKOAIAXEI-UHFFFAOYSA-N |
| Mol Weight | 289.17 g/mol |
| Molecular Formula | C12H17BrO3 |
| Exact Mass | 288.036107 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ck3xo1qnkbg |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H17BrO3 |
| InChI | InChI=1S/C12H17BrO3/c13-11-5-8-3-9(4-10(8,6-11)7-14)12(11)15-1-2-16-12/h8-9,14H,1-7H2 |
| InChIKey | AHXMMNKOAIAXEI-UHFFFAOYSA-N |
| Molecular Weight | 288.0356 |
| SMILES | C1C2C3(OCCO3)C3(Br)CC1(CO)C(C2)C3 |
| SPLASH | splash10-05fu-9210000000-864e64b4c93248742ae7 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |