SpectraBase Spectrum ID |
44YAzsdDQP0 |
Name |
Spiro[6H-benz[E]indene-6,3'(4'H)-[2H]pyran]-7-carboxaldehyde, tetradecahydro-3A-methyl-3,6'-dioxo- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
318.183109313 u |
Formula |
C19H26O4 |
InChI |
InChI=1S/C19H26O4/c1-18-8-6-15-13(14(18)4-5-16(18)21)3-2-12(10-20)19(15)9-7-17(22)23-11-19/h10,12-15H,2-9,11H2,1H3 |
InChIKey |
FWMAWOSJJUXIIV-UHFFFAOYSA-N |
Molecular Weight |
318.413 g/mol |
SMILES |
C12(C(C3CCC(C4(C3CC2)COC(CC4)=O)C=O)CCC1=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98692 |