| SpectraBase Spectrum ID |
4kFhi4vUcOv |
| Name |
Phenol, 4-methyl-2-(1,2,2-trimethylcyclopentyl)-, 3,5-dinitrobenzoate, (S)- |
| Alternate Name(s) |
1-(3,5-Dinitrobenzoyloxy)herbertene
4-Methyl-2-[(1S)-1,2,2-trimethylcyclopentyl]phenyl 3,5-dinitrobenzoate |
| CAS Registry Number |
103412-34-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H24N2O6 |
| InChI |
InChI=1S/C22H24N2O6/c1-14-6-7-19(18(10-14)22(4)9-5-8-21(22,2)3)30-20(25)15-11-16(23(26)27)13-17(12-15)24(28)29/h6-7,10-13H,5,8-9H2,1-4H3/t22-/m1/s1 |
| InChIKey |
YIBYJUDITRGOSZ-JOCHJYFZSA-N |
| Molecular Weight |
412.442 g/mol |
| SMILES |
c1(N(=O)=O)cc(N(=O)=O)cc(C(Oc2c([C@@]3(C(CCC3)(C)C)C)cc(cc2)C)=O)c1 |
| SPLASH |
splash10-052b-8911000000-5b51c617db5dd739d88e |
| Source of Spectrum |
KC-1986-706-0 |
| Wiley ID |
1374418 |
