| SpectraBase Spectrum ID |
9Kx2xd9a0sj |
| Name |
1,3,5,7-Cyclooctatetraene-1-butanoic acid, methyl ester |
| Alternate Name(s) |
4-Cyclooctatetraenylbutanoate
methyl 4-(1,3,5,7-cyclooctatetraenyl)butanoate |
| CAS Registry Number |
57670-90-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16O2 |
| InChI |
InChI=1S/C13H16O2/c1-15-13(14)11-7-10-12-8-5-3-2-4-6-9-12/h2-6,8-9H,7,10-11H2,1H3/b3-2-,4-2-,5-3-,6-4-,8-5-,9-6-,12-8+,12-9+ |
| InChIKey |
KORBYUANTYYDKI-ZXDCBCANSA-N |
| Molecular Weight |
204.269 g/mol |
| SMILES |
C(\C=1\C=C/C=C\C=C/C/1)CCC(=O)OC |
| SPLASH |
splash10-014i-0920000000-822dc7fe44476abe6f94 |
| Source of Spectrum |
B-28-2246-0 |
| Wiley ID |
1201995 |
