| SpectraBase Spectrum ID |
9BdjfpdxsLl |
| Name |
(5R,6S)-2-(7-Methylocta-2(E)-4(E)-dienamido)-5,6-epoxy-1,4-benzoquinone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H17NO4 |
| InChI |
InChI=1S/C15H17NO4/c1-9(2)6-4-3-5-7-12(18)16-10-8-11(17)14-15(20-14)13(10)19/h3-5,7-9,14-15H,6H2,1-2H3,(H,16,18)/b4-3+,7-5+/t14-,15+/m1/s1 |
| InChIKey |
XMDMMNAJAHGLHL-MJNLRFKNSA-N |
| Molecular Weight |
275.304 g/mol |
| SMILES |
N(C=1C([C@]2([C@@](C(=O)C1)(O2)[H])[H])=O)C(\C=C\C=C\CC(C)C)=O |
| SPLASH |
splash10-000i-0920000000-8fd77933384958123185 |
| Source of Spectrum |
J-65-721-5 |
| Synonyms |
(2E,4E)-N-[(1R,6S)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-7-methyl-2,4-octadienamide |
| Wiley ID |
1532072 |
