![(1S*,7S*,9S*)-trans-2,2-(Ethylenedioxy)bicyclo[5.4.0]undecan-9-yl p-nitrobenzoate](/api/spectrum/Ib19DvmyXWQ/structure.png?h=300&w=458 "(1S*,7S*,9S*)-trans-2,2-(Ethylenedioxy)bicyclo[5.4.0]undecan-9-yl p-nitrobenzoate")
| SpectraBase Compound ID | JEU1c8QWDmr |
|---|---|
| InChI | InChI=1S/C20H25NO6/c22-19(14-4-6-16(7-5-14)21(23)24)27-17-8-9-18-15(13-17)3-1-2-10-20(18)25-11-12-26-20/h4-7,15,17-18H,1-3,8-13H2/t15-,17-,18-/m0/s1 |
| InChIKey | MFWXSMRRBMRASN-SZMVWBNQSA-N |
| Mol Weight | 375.42 g/mol |
| Molecular Formula | C20H25NO6 |
| Exact Mass | 375.168188 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ib19DvmyXWQ |
|---|---|
| Name | (1S*,7S*,9S*)-trans-2,2-(Ethylenedioxy)bicyclo[5.4.0]undecan-9-yl p-nitrobenzoate |
| Alternate Name(s) | (1R*,7S*,9R*)-trans-2,2-(Ethylenedioxy)bicyclo[5.4.0]undecan-9-yl p-nitrobenzoate (2S,4aS,9aS)-decahydrospiro[-benzo[7]annulene-5,2'-[1,3]dioxolane]-2-yl 4-nitrobenzoate 4-Nitrobenzoic acid[(2S,4aS,9aS)-2-spiro[1,2,3,4,4a,6,7,8,9,9a-decahydrobenzo[7]annulene-5,2'-1,3-dioxolane]yl]ester 4-Nitrobenzoic acid[(2S,4aS,9aS)-spiro[1,2,3,4,4a,6,7,8,9,9a-decahydrobenzocycloheptene-5,2'-1,3-dioxolane]-2-yl]ester [(2S,4aS,9aS)-spiro[1,2,3,4,4a,6,7,8,9,9a-decahydrobenzo[7]annulene-5,2'-1,3-dioxolane]-2-yl]4-nitrobenzoate 4-Nitrobenzoic acid [(2S,4aS,9aS)-2-spiro[1,2,3,4,4a,6,7,8,9,9a-decahydrobenzo[7]annulene-5,2'-1,3-dioxolane]yl] ester [(2S,4aS,9aS)-spiro[1,2,3,4,4a,6,7,8,9,9a-decahydrobenzo[7]annulene-5,2'-1,3-dioxolane]-2-yl] 4-nitrobenzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H25NO6 |
| InChI | InChI=1S/C20H25NO6/c22-19(14-4-6-16(7-5-14)21(23)24)27-17-8-9-18-15(13-17)3-1-2-10-20(18)25-11-12-26-20/h4-7,15,17-18H,1-3,8-13H2/t15-,17-,18-/m0/s1 |
| InChIKey | MFWXSMRRBMRASN-SZMVWBNQSA-N |
| Molecular Weight | 375.421 g/mol |
| SMILES | c1(N(=O)=O)ccc(C(O[C@@]2(C[C@@]3(CCCCC4([C@]3(CC2)[H])OCCO4)[H])[H])=O)cc1 |
| SPLASH | splash10-0udj-6942000000-83f343d899e131406379 |
| Source of Spectrum | K-2001-1029-10 |
| Wiley ID | 1578788 |