| SpectraBase Spectrum ID |
AmwK48Xkc5F |
| Name |
(E)-7-ketooct-5-enoic acid methyl ester |
| CAS Registry Number |
98711-87-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H14O3 |
| InChI |
InChI=1S/C9H14O3/c1-8(10)6-4-3-5-7-9(11)12-2/h4,6H,3,5,7H2,1-2H3/b6-4+ |
| InChIKey |
MOZVYFLGFQZCRR-GQCTYLIASA-N |
| Molecular Weight |
170.208 g/mol |
| SMILES |
C(=O)(OC)CCC\C=C\C(=O)C |
| SPLASH |
splash10-0002-9100000000-a6e2081d64b150d6ebf8 |
| Source of Spectrum |
KC-1985-1243-49 |
| Synonyms |
(E)-7-oxo-5-octenoic acid methyl ester
methyl (E)-7-oxidanylideneoct-5-enoate
methyl (E)-7-oxooct-5-enoate |
| Wiley ID |
1166621 |
