| SpectraBase Spectrum ID |
A7XUFgkSmKg |
| Name |
(+-)-(1.alpha.,2a.alpha.,8b.alpha.)-1-(4-Cyanophenyl)-1,2,2a,8b-tetrahydro-8b-hydroxycyclobuta[a]naphthalene-3,4-dione |
| Alternate Name(s) |
4-[(1S,2aR,8bR)-8b-hydroxy-3,4-dioxo-1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-1-yl]benzonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H13NO3 |
| InChI |
InChI=1S/C19H13NO3/c20-10-11-5-7-12(8-6-11)15-9-16-18(22)17(21)13-3-1-2-4-14(13)19(15,16)23/h1-8,15-16,23H,9H2/t15-,16-,19+/m0/s1 |
| InChIKey |
VSAIYUUFPNMQQD-TXPKVOOTSA-N |
| Molecular Weight |
303.317 g/mol |
| SMILES |
O[C@@]12[C@@](C(=O)C(c3c2cccc3)=O)([H])C[C@]1(c1ccc(C#N)cc1)[H] |
| SPLASH |
splash10-0fb9-0809000000-f69837a0660d7123060f |
| Source of Spectrum |
KC-0-119-6 |
| Wiley ID |
775833 |
![(+-)-(1.alpha.,2a.alpha.,8b.alpha.)-1-(4-Cyanophenyl)-1,2,2a,8b-tetrahydro-8b-hydroxycyclobuta[a]naphthalene-3,4-dione](/api/spectrum/A7XUFgkSmKg/structure.png?h=300&w=458 "(+-)-(1.alpha.,2a.alpha.,8b.alpha.)-1-(4-Cyanophenyl)-1,2,2a,8b-tetrahydro-8b-hydroxycyclobuta[a]naphthalene-3,4-dione")
