| SpectraBase Spectrum ID |
JHfo8x59xQW |
| Name |
Senkyunolide H |
| CAS Registry Number |
94596-27-7 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
224.104858991 u |
| Formula |
C12H16O4 |
| InChI |
InChI=1S/C12H16O4/c1-2-3-4-9-7-5-6-8(13)11(14)10(7)12(15)16-9/h4,8,11,13-14H,2-3,5-6H2,1H3/b9-4-/t8-,11-/m0/s1 |
| InChIKey |
DQNGMIQSXNGHOA-RCBCECLLSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
224.256 g/mol |
| Nominal Mass |
224 u |
| Quality |
931 |
| Retention Index |
1642 |
| SMILES |
O[C@]1(CCC2=C([C@]1(O)[H])C(O\C2=C\CCC)=O)[H] |
| SPLASH |
splash10-001i-6900000000-077bd7813ac69a60f71c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(3Z,6S,7R)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1(3H)-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022324 |
