| SpectraBase Compound ID | 1nwHYVwXV4c |
|---|---|
| InChI | InChI=1S/C22H24N2O7/c1-22(2)30-19-17(23-28-13-14-6-4-3-5-7-14)12-18(20(19)31-22)29-21(25)15-8-10-16(11-9-15)24(26)27/h3-11,17-20,23H,12-13H2,1-2H3/t17-,18+,19+,20-/m1/s1 |
| InChIKey | UXXCEYMQWJXPFO-FUMNGEBKSA-N |
| Mol Weight | 428.44 g/mol |
| Molecular Formula | C22H24N2O7 |
| Exact Mass | 428.158351 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ItlPlOgjq8N |
|---|---|
| Name | (1S,2S,3S,4R)-4-O-Benzylhydroxyamino-2,3-isopropylidene-1-O-p-nitrobenzoyl-1,2,3-cyclopentanetriol |
| Alternate Name(s) | 4-Nitro-benzoic acid (3aR,4S,6R,6aS)-6-benzyloxyamino-2,2-dimethyl-tetrahydro-cyclopenta[1,3]dioxol-4-yl ester 4-Nitrobenzoic acid [(3aR,4S,6R,6aS)-2,2-dimethyl-6-(phenylmethoxyamino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] ester [(3aR,4S,6R,6aS)-6-(benzyloxyamino)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] 4-nitrobenzoate [(3aR,4S,6R,6aS)-2,2-dimethyl-6-(phenylmethoxyamino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] 4-nitrobenzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H24N2O7 |
| InChI | InChI=1S/C22H24N2O7/c1-22(2)30-19-17(23-28-13-14-6-4-3-5-7-14)12-18(20(19)31-22)29-21(25)15-8-10-16(11-9-15)24(26)27/h3-11,17-20,23H,12-13H2,1-2H3/t17-,18+,19+,20-/m1/s1 |
| InChIKey | UXXCEYMQWJXPFO-FUMNGEBKSA-N |
| Molecular Weight | 428.441 g/mol |
| SMILES | N([C@]1([C@]2([C@@]([C@](C1)(OC(c1ccc(N(=O)=O)cc1)=O)[H])(OC(C)(C)O2)[H])[H])[H])OCc1ccccc1 |
| SPLASH | splash10-0006-9100000000-c17b797d881eedb79f3c |
| Source of Spectrum | QC-8-2254-12 |
| Wiley ID | 870064 |