| SpectraBase Spectrum ID |
Ir2GXMRoE6g |
| Name |
(1S,4R,6R)-Dimethyl 9-Isopropylbicyclo[4.3.0]nona-2-8-dien-7,7-dicarboxylate-4-benzoic acid |
| Alternate Name(s) |
2-[(3aS,6R,7aR)-3-isopropyl-1,1-bis(methoxycarbonyl)-3a,6,7,7a-tetrahydro-1H-inden-6-yl]benzoic acid
Dimethyl 9-Isopropylbicyclo[4.3.0]nona-2-8-dien-7,7-dicarboxylate-4-benzoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H26O6 |
| InChI |
InChI=1S/C23H26O6/c1-13(2)18-12-23(21(26)28-3,22(27)29-4)19-11-14(9-10-16(18)19)15-7-5-6-8-17(15)20(24)25/h5-10,12-14,16,19H,11H2,1-4H3,(H,24,25)/t14-,16+,19+/m0/s1 |
| InChIKey |
CFNLSTMPBWNRDN-ZSZQSSIHSA-N |
| Molecular Weight |
398.455 g/mol |
| SMILES |
OC(c1c([C@@]2(C[C@]3(C(C=C(C(C)C)[C@]3(C=C2)[H])(C(=O)OC)C(=O)OC)[H])[H])cccc1)=O |
| SPLASH |
splash10-08fr-0590000000-4b016391587bc5897803 |
| Source of Spectrum |
F-68-7247-2 |
| Wiley ID |
1573417 |
![(1S,4R,6R)-Dimethyl 9-Isopropylbicyclo[4.3.0]nona-2-8-dien-7,7-dicarboxylate-4-benzoic acid](/api/spectrum/Ir2GXMRoE6g/structure.png?h=300&w=458 "(1S,4R,6R)-Dimethyl 9-Isopropylbicyclo[4.3.0]nona-2-8-dien-7,7-dicarboxylate-4-benzoic acid")
