| SpectraBase Compound ID | H5SwNIXFyTD |
|---|---|
| InChI | InChI=1S/C16H30O11.C10H12N2O2/c1-23-4-8-7(11(17)15(21)16(22)27-8)3-25-6-10-13(19)14(20)12(18)9(26-10)5-24-2;1-7(13)11-9-3-5-10(6-4-9)12-8(2)14/h7-22H,3-6H2,1-2H3;3-6H,1-2H3,(H,11,13)(H,12,14)/t7-,8-,9-,10+,11+,12-,13+,14+,15-,16?;/m1./s1 |
| InChIKey | JPKIDSKZIWTKCC-ZPJIIIMVSA-N |
| Mol Weight | 590.62 g/mol |
| Molecular Formula | C26H42N2O13 |
| Exact Mass | 590.268689 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DmFpWJgX0Ob |
|---|---|
| Name | Polyurethane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 590.268689407 u |
| Formula | C26H42N2O13 |
| InChI | InChI=1S/C16H30O11.C10H12N2O2/c1-23-4-8-7(11(17)15(21)16(22)27-8)3-25-6-10-13(19)14(20)12(18)9(26-10)5-24-2;1-7(13)11-9-3-5-10(6-4-9)12-8(2)14/h7-22H,3-6H2,1-2H3;3-6H,1-2H3,(H,11,13)(H,12,14)/t7-,8-,9-,10+,11+,12-,13+,14+,15-,16?;/m1./s1 |
| InChIKey | JPKIDSKZIWTKCC-ZPJIIIMVSA-N |
| Molecular Weight | 590.623 g/mol |
| Nominal Mass | 590 u |
| SMILES | O[C@@]1([C@]([C@](COC[C@]2([C@@]([C@](C(O[C@@]2(COC)[H])O)(O)[H])(O)[H])[H])(O[C@]([C@@]1([H])O)([H])COC)[H])(O)[H])[H].N(C(C)=O)C1=CC=C(C=C1)NC(=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.762342 |