| SpectraBase Spectrum ID |
4TKs6oTK9GB |
| Name |
[(1S,2S,5R)-2-isopropenyl-5-methyl-cyclohexyl] 4-nitrobenzoate |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21NO4 |
| InChI |
InChI=1S/C17H21NO4/c1-11(2)15-9-4-12(3)10-16(15)22-17(19)13-5-7-14(8-6-13)18(20)21/h5-8,12,15-16H,1,4,9-10H2,2-3H3/t12-,15+,16+/m1/s1 |
| InChIKey |
ZILCMLGGVRKUIN-KCXAZCMYSA-N |
| Instrument Name |
Agilent HP 6890-5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.11.228 |
| Molecular Weight |
303.358 g/mol |
| Optical Rotation |
[a]D = +37.6 (c = 1.4, CHCl3) |
| SMILES |
C1[C@](C[C@@]([C@@](C1)(C(C)=C)[H])(OC(c1ccc(cc1)[N+]([O-])=O)=O)[H])(C)[H] |
| SPLASH |
splash10-0fb9-9600000000-81b31f8c17d516ce04b2 |
| Source of Spectrum |
BJO-11-SM6-SM6-1 |
| Wiley ID |
1851638 |
![[(1S,2S,5R)-2-isopropenyl-5-methyl-cyclohexyl] 4-nitrobenzoate](/api/spectrum/4TKs6oTK9GB/structure.png?h=300&w=458 "[(1S,2S,5R)-2-isopropenyl-5-methyl-cyclohexyl] 4-nitrobenzoate")
