| SpectraBase Spectrum ID |
B3B65U58ak3 |
| Name |
rel-(1R,2aR,8bR)-2a-Benzoyl-1-butyl-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one |
| Alternate Name(s) |
(1R,2aR,8bR)-2a-benzoyl-1-butyl-1,2,2a,8b-tetrahydro-3H-cyclobuta[c]chromen-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H22O3 |
| InChI |
InChI=1S/C22H22O3/c1-2-3-9-16-14-22(20(23)15-10-5-4-6-11-15)19(16)17-12-7-8-13-18(17)25-21(22)24/h4-8,10-13,16,19H,2-3,9,14H2,1H3/t16-,19-,22-/m1/s1 |
| InChIKey |
HZSBTYFOSQLYKD-ZWDAVXSWSA-N |
| Molecular Weight |
334.415 g/mol |
| SMILES |
c12c([C@@]3([C@](C(O2)=O)(C[C@]3(CCCC)[H])C(c2ccccc2)=O)[H])cccc1 |
| SPLASH |
splash10-0a4i-0900000000-0ffe3d60eeec003058ee |
| Source of Spectrum |
O1-65-2424-2 |
| Wiley ID |
1593273 |
![rel-(1R,2aR,8bR)-2a-Benzoyl-1-butyl-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one](/api/spectrum/B3B65U58ak3/structure.png?h=300&w=458 "rel-(1R,2aR,8bR)-2a-Benzoyl-1-butyl-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one")
