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2-epi-Ziza-6(13)-en-3-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

2-epi-Ziza-6(13)-en-3-one
SpectraBase Compound ID KhbI6Huba22
InChI InChI=1S/C15H22O/c1-9-12-7-13(16)10(2)15(12)6-5-11(8-15)14(9,3)4/h10-12H,1,5-8H2,2-4H3/t10-,11-,12-,15+/m1/s1
InChIKey RVQOGXCBZWSGSS-BLTAXRJOSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IaJjEPO2icc
Name 2-epi-Ziza-6(13)-en-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.167065327 u
Formula C15H22O
InChI InChI=1S/C15H22O/c1-9-12-7-13(16)10(2)15(12)6-5-11(8-15)14(9,3)4/h10-12H,1,5-8H2,2-4H3/t10-,11-,12-,15+/m1/s1
InChIKey RVQOGXCBZWSGSS-BLTAXRJOSA-N
Molecular Weight 218.340 g/mol
SMILES C1(=O)[C@]([C@@]23C[C@](C(C([C@]3(C1)[H])=C)(C)C)(CC2)[H])(C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.872284