![1H-Naphth[2',1':4,5]indeno[2,1-b]furan, cyanamide deriv.](/api/spectrum/DToFpmzWJJ7/structure.png?h=300&w=458 "1H-Naphth[2',1':4,5]indeno[2,1-b]furan, cyanamide deriv.")
| SpectraBase Compound ID | FAO8Lz79gPu |
|---|---|
| InChI | InChI=1S/C28H46N2O/c1-18(16-30-17-29)8-11-24-19(2)26-25(31-24)15-23-21-10-9-20-7-5-6-13-27(20,3)22(21)12-14-28(23,26)4/h18-26,30H,5-16H2,1-4H3/t18-,19-,20-,21?,22?,23?,24-,25+,26+,27+,28+/m1/s1 |
| InChIKey | UTZQNVGEAVFSQZ-KTJWAJJDSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C28H46N2O |
| Exact Mass | 426.361014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DToFpmzWJJ7 |
|---|---|
| Name | 1H-Naphth[2',1':4,5]indeno[2,1-B]furan, cyanamide deriv. |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.361014108 u |
| Formula | C28H46N2O |
| InChI | InChI=1S/C28H46N2O/c1-18(16-30-17-29)8-11-24-19(2)26-25(31-24)15-23-21-10-9-20-7-5-6-13-27(20,3)22(21)12-14-28(23,26)4/h18-26,30H,5-16H2,1-4H3/t18-,19-,20-,21?,22?,23?,24-,25+,26+,27+,28+/m1/s1 |
| InChIKey | UTZQNVGEAVFSQZ-KTJWAJJDSA-N |
| Molecular Weight | 426.689 g/mol |
| SMILES | [C@@]12(C(C3CC[C@@]4([C@](C3CC2)(C)CCCC4)[H])C[C@]2([C@@]1([C@@]([C@@](CC[C@](CNC#N)(C)[H])(O2)[H])(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924472 |