| SpectraBase Spectrum ID |
9OeRN8Pk43B |
| Name |
1,3-Pentalenedimethanol, 1,2,3,3a,4,6a-hexahydro-, bis(4-nitrobenzoate), (1.alpha.,3.alpha.,3a.beta.,6a.beta.)- |
| Alternate Name(s) |
((1S,3R,3aS,6aR)-3-{[(4-nitrobenzoyl)oxy]methyl}-1,2,3,3a,6,6a-hexahydro-1-pentalenyl)methyl 4-nitrobenzoate
Bis-p-nitrobenzoate of trans,cis,trans-2,4-bishydroxymethylbicyclo[3.3.0]oct-6-ene |
| CAS Registry Number |
82937-63-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H22N2O8 |
| InChI |
InChI=1S/C24H22N2O8/c27-23(15-4-8-19(9-5-15)25(29)30)33-13-17-12-18(22-3-1-2-21(17)22)14-34-24(28)16-6-10-20(11-7-16)26(31)32/h1-2,4-11,17-18,21-22H,3,12-14H2/t17-,18+,21+,22-/m0/s1 |
| InChIKey |
KGEJAGAZLLLNPK-KKXYHZGYSA-N |
| Molecular Weight |
466.446 g/mol |
| SMILES |
c1(N(=O)=O)ccc(C(OC[C@]2([C@@]3([C@](CC=C3)([H])[C@](C2)(COC(c2ccc(N(=O)=O)cc2)=O)[H])[H])[H])=O)cc1 |
| SPLASH |
splash10-0fsi-2900000000-dc416001a4fc59dec726 |
| Source of Spectrum |
KC-1982-1415-0 |
| Wiley ID |
1391910 |
