SpectraBase Compound ID | 7iHjsCGaEQT |
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InChI | InChI=1S/C23H32O4/c1-16(8-6-10-17(2)22(24)25)9-7-12-23(4)13-11-19-15-20(26-5)14-18(3)21(19)27-23/h9-10,14-15H,6-8,11-13H2,1-5H3,(H,24,25)/b16-9+,17-10+ |
InChIKey | AABSZBMLGKTAOK-CZCYGEDCSA-N |
Mol Weight | 372.5 g/mol |
Molecular Formula | C23H32O4 |
Exact Mass | 372.23006 g/mol |
SpectraBase Spectrum ID | Knzt2iC4ym2 |
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Name | Policerasoidine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 372.230059506 u |
Formula | C23H32O4 |
InChI | InChI=1S/C23H32O4/c1-16(8-6-10-17(2)22(24)25)9-7-12-23(4)13-11-19-15-20(26-5)14-18(3)21(19)27-23/h9-10,14-15H,6-8,11-13H2,1-5H3,(H,24,25)/b16-9+,17-10+ |
InChIKey | AABSZBMLGKTAOK-CZCYGEDCSA-N |
Molecular Weight | 372.505 g/mol |
SMILES | C1=2OC(CCC2C=C(C=C1C)OC)(CC\C=C\(CC\C=C\(C(=O)O)C)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.825705 |