| SpectraBase Spectrum ID |
1dkpNStsWsr |
| Name |
1H-Indene-4-methanol, 1-(1,5-dimethylhexyl)-2,3,3A,6,7,7A-hexahydro-7A-methyl-, 4-nitrobenzoate, [1R-[1.alpha.(R*),3A.beta.,7A.alpha.]]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
427.272258671 u |
| Formula |
C26H37NO4 |
| InChI |
InChI=1S/C26H37NO4/c1-18(2)7-5-8-19(3)23-14-15-24-21(9-6-16-26(23,24)4)17-31-25(28)20-10-12-22(13-11-20)27(29)30/h9-13,18-19,23-24H,5-8,14-17H2,1-4H3/t19?,23-,24+,26-/m1/s1 |
| InChIKey |
STCCLLYZOINCRB-WZNDQLEHSA-N |
| Molecular Weight |
427.585 g/mol |
| SMILES |
[C@]12([C@](C(COC(C3=CC=C(N(=O)=O)C=C3)=O)=CCC1)(CC[C@@]2(C(CCCC(C)C)C)[H])[H])C |
![1H-Indene-4-methanol, 1-(1,5-dimethylhexyl)-2,3,3a,6,7,7a-hexahydro-7a-methyl-, 4-nitrobenzoate, [1R-[1.alpha.(R*),3a.beta.,7a.alpha.]]-](/api/spectrum/1dkpNStsWsr/structure.png?h=300&w=458 "1H-Indene-4-methanol, 1-(1,5-dimethylhexyl)-2,3,3a,6,7,7a-hexahydro-7a-methyl-, 4-nitrobenzoate, [1R-[1.alpha.(R*),3a.beta.,7a.alpha.]]-")
