| SpectraBase Spectrum ID |
LkwXRHqtZze |
| Name |
(2E)-2-(1-ketothian-2-ylidene)pent-4-enoic acid methyl ester |
| Alternate Name(s) |
(2E)-2-(1-oxo-2-thianylidene)-4-pentenoic acid methyl ester
methyl (2E)-2-(1-oxidanylidenethian-2-ylidene)pent-4-enoate
methyl (2E)-2-(1-oxothian-2-ylidene)pent-4-enoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H16O3S |
| InChI |
InChI=1S/C11H16O3S/c1-3-6-9(11(12)14-2)10-7-4-5-8-15(10)13/h3H,1,4-8H2,2H3/b10-9+ |
| InChIKey |
VGEXLZBAQZRUSP-MDZDMXLPSA-N |
| Molecular Weight |
228.306 g/mol |
| SMILES |
C1S(\C(=C\(C(=O)OC)CC=C)CCC1)=O |
| SPLASH |
splash10-004i-0900000000-37e45334678a30032784 |
| Source of Spectrum |
O1-62-276-8 |
| Wiley ID |
1592423 |
