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ent-Vittatalactone

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

ent-Vittatalactone
SpectraBase Compound ID 98Uwd6F5o4V
InChI InChI=1S/C16H30O2/c1-10(2)7-11(3)8-12(4)9-13(5)15-14(6)16(17)18-15/h10-15H,7-9H2,1-6H3/t11-,12-,13-,14+,15+/m1/s1
InChIKey CFHHQGFWTMEJQN-ZSAUSMIDSA-N
Mol Weight 254.41 g/mol
Molecular Formula C16H30O2
Exact Mass 254.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GLsffwIj6QK
Name ent-Vittatalactone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.224580204 u
Formula C16H30O2
InChI InChI=1S/C16H30O2/c1-10(2)7-11(3)8-12(4)9-13(5)15-14(6)16(17)18-15/h10-15H,7-9H2,1-6H3/t11-,12-,13-,14+,15+/m1/s1
InChIKey CFHHQGFWTMEJQN-ZSAUSMIDSA-N
Molecular Weight 254.414 g/mol
SMILES [C@]1(C)(C(=O)O[C@]1([C@](C)(C[C@@](C[C@@](CC(C)C)(C)[H])(C)[H])[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.979685