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ent-Halima-1(10),13-dien-16,15-olide

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

ent-Halima-1(10),13-dien-16,15-olide
SpectraBase Compound ID CtuNJpMkTST
InChI InChI=1S/C20H30O2/c1-14-7-8-16-17(6-5-10-19(16,2)3)20(14,4)11-9-15-12-18(21)22-13-15/h6,12,14,16H,5,7-11,13H2,1-4H3/t14-,16?,20+/m1/s1
InChIKey UPYCZJSGFYRBFV-WWUFKLEJSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IPjgXpklCk1
Name ent-Halima-1(10),13-dien-16,15-olide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.224580204 u
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-14-7-8-16-17(6-5-10-19(16,2)3)20(14,4)11-9-15-12-18(21)22-13-15/h6,12,14,16H,5,7-11,13H2,1-4H3/t14-,16?,20+/m1/s1
InChIKey UPYCZJSGFYRBFV-WWUFKLEJSA-N
SMILES C1(=O)C=C(CC[C@]2([C@@](CCC3C(CCC=C23)(C)C)(C)[H])C)CO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961793