| SpectraBase Spectrum ID |
8lb8jf9LoC8 |
| Name |
1-Pentalenol, 3-ethenyloctahydro-2,3,6a-trimethyl-, 3,5-dinitrobenzoate, (1.alpha.,2.alpha.,3.beta.,3a.beta.,6a.beta.)-(.+-.)- |
| CAS Registry Number |
108613-55-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H24N2O6 |
| InChI |
InChI=1S/C20H24N2O6/c1-5-19(3)12(2)17(20(4)8-6-7-16(19)20)28-18(23)13-9-14(21(24)25)11-15(10-13)22(26)27/h5,9-12,16-17H,1,6-8H2,2-4H3/t12-,16-,17+,19-,20-/m0/s1 |
| InChIKey |
MJQBJUBIDCJGKI-IOPHRHCQSA-N |
| Molecular Weight |
388.420 g/mol |
| SMILES |
[C@]1([C@@]2([C@](CCC2)([H])[C@]([C@]1(C)[H])(C=C)C)C)(OC(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O)[H] |
| SPLASH |
splash10-0ars-9800000000-60ac67a5faec6cd88b24 |
| Source of Spectrum |
H-69-667-12 |
| Synonyms |
(1R,2R,3R,3aS,6aS)-2,3,6a-trimethyl-3-vinyloctahydro-1-pentalenyl 3,5-dinitrobenzoate
3,5-Dinitrobenzoesaure-[(1RS,2SR,3SR,4RS,5RS)-1,3,4-trimethyl-4-vinylbicyclo[3.3.0]octan-2-yl]ester |
| Wiley ID |
1363733 |
