| SpectraBase Spectrum ID |
1u81MmKkj0T |
| Name |
2-[(6-chloro-2-keto-chromen-3-yl)methyl]-3-keto-butyric acid ethyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H15ClO5 |
| InChI |
InChI=1S/C16H15ClO5/c1-3-21-16(20)13(9(2)18)8-11-6-10-7-12(17)4-5-14(10)22-15(11)19/h4-7,13H,3,8H2,1-2H3 |
| InChIKey |
QVNDXUABCVHZTF-UHFFFAOYSA-N |
| Molecular Weight |
322.744 g/mol |
| SMILES |
C=1(C(Oc2c(C1)cc(cc2)Cl)=O)CC(C(=O)OCC)C(=O)C |
| SPLASH |
splash10-001i-0090000000-3af364505d84d4c4e079 |
| Source of Spectrum |
MZ-34-3416-13 |
| Synonyms |
2-[(6-chloro-2-oxo-1-benzopyran-3-yl)methyl]-3-oxobutanoic acid ethyl ester
ethyl 2-[(6-chloranyl-2-oxidanylidene-chromen-3-yl)methyl]-3-oxidanylidene-butanoate
ethyl 2-[(6-chloro-2-oxo-chromen-3-yl)methyl]-3-oxo-butanoate |
| Wiley ID |
1582577 |
![2-[(6-chloro-2-keto-chromen-3-yl)methyl]-3-keto-butyric acid ethyl ester](/api/spectrum/1u81MmKkj0T/structure.png?h=300&w=458 "2-[(6-chloro-2-keto-chromen-3-yl)methyl]-3-keto-butyric acid ethyl ester")
