| SpectraBase Spectrum ID |
BjoQ8NWzaay |
| Name |
2-acetyl-2-bromo-4-pentenoic acid ethyl ester |
| Alternate Name(s) |
2-acetyl-2-bromo-pent-4-enoic acid ethyl ester
ethyl 2-acetyl-2-bromo-pent-4-enoate
ethyl 2-bromanyl-2-ethanoyl-pent-4-enoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H13BrO3 |
| InChI |
InChI=1S/C9H13BrO3/c1-4-6-9(10,7(3)11)8(12)13-5-2/h4H,1,5-6H2,2-3H3 |
| InChIKey |
XNVWOKKZZGZDQR-UHFFFAOYSA-N |
| Molecular Weight |
249.104 g/mol |
| SMILES |
C(C(=O)OCC)(C(=O)C)(Br)CC=C |
| SPLASH |
splash10-0006-9030000000-812a6e7213b6f0237190 |
| Source of Spectrum |
J-58-4598-4 |
| Wiley ID |
1250441 |
