| SpectraBase Spectrum ID |
FZ4kRLpQ66 |
| Name |
(E)-2-ketohept-3-enoic acid methyl ester |
| Alternate Name(s) |
(E)-2-oxo-3-heptenoic acid methyl ester
methyl (E)-2-oxidanylidenehept-3-enoate
methyl (E)-2-oxohept-3-enoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H12O3 |
| InChI |
InChI=1S/C8H12O3/c1-3-4-5-6-7(9)8(10)11-2/h5-6H,3-4H2,1-2H3/b6-5+ |
| InChIKey |
QFYYSGOQIVRLLQ-AATRIKPKSA-N |
| Molecular Weight |
156.181 g/mol |
| SMILES |
C(C(\C=C\CCC)=O)(=O)OC |
| SPLASH |
splash10-03di-0900000000-970c61167a07636b29cb |
| Source of Spectrum |
J-66-3609-8 |
| Wiley ID |
1535769 |
