| SpectraBase Spectrum ID |
9jGAqAP7yUP |
| Name |
3H-Benzo[b]cyclobuta[d]pyran-3-one, 1-ethoxy-1,2,2a,8b-tetrahydro-8b-hydroxy-, (1.alpha.,2a.beta.,8b.beta.)-(.+-.)- |
| CAS Registry Number |
116947-07-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H14O4 |
| InChI |
InChI=1S/C13H14O4/c1-2-16-11-7-9-12(14)17-10-6-4-3-5-8(10)13(9,11)15/h3-6,9,11,15H,2,7H2,1H3/t9-,11-,13-/m1/s1 |
| InChIKey |
SFRFYNMBIOXQCP-IRUJWGPZSA-N |
| Molecular Weight |
234.251 g/mol |
| SMILES |
O[C@]12[C@@](C(Oc3ccccc23)=O)(C[C@]1(OCC)[H])[H] |
| SPLASH |
splash10-00di-0900000000-929cb36fc68d5b0a782d |
| Source of Spectrum |
J-53-5958-32 |
| Synonyms |
(1R,2aS,8bS)-1-ethoxy-8b-hydroxy-1,2,2a,8b-tetrahydro-3H-cyclobuta[c]chromen-3-one |
| Wiley ID |
1235913 |
![3H-Benzo[b]cyclobuta[d]pyran-3-one, 1-ethoxy-1,2,2a,8b-tetrahydro-8b-hydroxy-, (1.alpha.,2a.beta.,8b.beta.)-(.+-.)-](/api/spectrum/9jGAqAP7yUP/structure.png?h=300&w=458 "3H-Benzo[b]cyclobuta[d]pyran-3-one, 1-ethoxy-1,2,2a,8b-tetrahydro-8b-hydroxy-, (1.alpha.,2a.beta.,8b.beta.)-(.+-.)-")
