| SpectraBase Compound ID | B4eCbyRCxVo |
|---|---|
| InChI | InChI=1S/C26H42N2O7/c1-14(4-7-22(32)28(27-35)13-23(33)34)17-5-6-18-24-19(12-21(31)26(17,18)3)25(2)9-8-16(29)10-15(25)11-20(24)30/h14-21,24,29-31H,4-13H2,1-3H3,(H,33,34)/t14-,15+,16-,17-,18?,19?,20-,21+,24?,25+,26-/m1/s1 |
| InChIKey | IWZAMXSNVROOQA-NLKBZSSJSA-N |
| Mol Weight | 494.6 g/mol |
| Molecular Formula | C26H42N2O7 |
| Exact Mass | 494.299202 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LcQ0LNC4RAk |
|---|---|
| Name | Glycine, N-choloyl-N-nitroso- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 494.299201693 u |
| Formula | C26H42N2O7 |
| InChI | InChI=1S/C26H42N2O7/c1-14(4-7-22(32)28(27-35)13-23(33)34)17-5-6-18-24-19(12-21(31)26(17,18)3)25(2)9-8-16(29)10-15(25)11-20(24)30/h14-21,24,29-31H,4-13H2,1-3H3,(H,33,34)/t14-,15+,16-,17-,18?,19?,20-,21+,24?,25+,26-/m1/s1 |
| InChIKey | IWZAMXSNVROOQA-NLKBZSSJSA-N |
| Molecular Weight | 494.629 g/mol |
| SMILES | [C@@]12(C(C3[C@@](C[C@]4([C@@](C3C[C@@]2(O)[H])(CC[C@@](O)(C4)[H])C)[H])(O)[H])CC[C@@]1([C@@](CCC(N(CC(=O)O)N=O)=O)(C)[H])[H])C |