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Grandifolia C

View entire compound with spectra: 1 NMR, and 1 FTIR

Grandifolia C
SpectraBase Compound ID HO8xQpI11md
InChI InChI=1S/C18H26O2/c1-12-9-13-5-6-16-17(2,3)7-4-8-18(16,11-19)14(13)10-15(12)20/h9-10,16,19-20H,4-8,11H2,1-3H3
InChIKey WZGHNBMQPXHMLH-UHFFFAOYSA-N
Mol Weight 274.4 g/mol
Molecular Formula C18H26O2
Exact Mass 274.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 12mm6iv4oiD
Name Grandifolia C
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.193280075 u
Formula C18H26O2
InChI InChI=1S/C18H26O2/c1-12-9-13-5-6-16-17(2,3)7-4-8-18(16,11-19)14(13)10-15(12)20/h9-10,16,19-20H,4-8,11H2,1-3H3
InChIKey WZGHNBMQPXHMLH-UHFFFAOYSA-N
Molecular Weight 274.404 g/mol
SMILES C12C(CO)(C3=CC(O)=C(C)C=C3CC1)CCCC2(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.829394