| SpectraBase Spectrum ID |
H1APXdZRZtC |
| Name |
3H-Benzo[b]cyclobuta[d]pyran-3-one, 1,2,2a,8b-tetrahydro-8b-hydroxy-1,2,2-trimethyl-, (1.alpha.,2a.alpha.,8b.alpha.)-(.+-.)- |
| Alternate Name(s) |
(1R,2aR,8bR)-8b-hydroxy-1,2,2-trimethyl-1,2,2a,8b-tetrahydro-3H-cyclobuta[c]chromen-3-one |
| CAS Registry Number |
116947-06-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H16O3 |
| InChI |
InChI=1S/C14H16O3/c1-8-13(2,3)11-12(15)17-10-7-5-4-6-9(10)14(8,11)16/h4-8,11,16H,1-3H3/t8-,11-,14+/m1/s1 |
| InChIKey |
VQIKKQNKUMOMDC-UGQGEIBHSA-N |
| Molecular Weight |
232.279 g/mol |
| SMILES |
O[C@]12[C@@](C([C@]2(C)[H])(C)C)(C(Oc2ccccc12)=O)[H] |
| SPLASH |
splash10-03di-0900000000-5cb22b8528100b44442b |
| Source of Spectrum |
J-53-5958-22 |
| Wiley ID |
1233967 |
![3H-Benzo[b]cyclobuta[d]pyran-3-one, 1,2,2a,8b-tetrahydro-8b-hydroxy-1,2,2-trimethyl-, (1.alpha.,2a.alpha.,8b.alpha.)-(.+-.)-](/api/spectrum/H1APXdZRZtC/structure.png?h=300&w=458 "3H-Benzo[b]cyclobuta[d]pyran-3-one, 1,2,2a,8b-tetrahydro-8b-hydroxy-1,2,2-trimethyl-, (1.alpha.,2a.alpha.,8b.alpha.)-(.+-.)-")
