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13-Hydroxy-14,15,16,20-tetranorlabdan-8-one

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

13-Hydroxy-14,15,16,20-tetranorlabdan-8-one
SpectraBase Compound ID 5FGXsvgpQ02
InChI InChI=1S/C16H28O2/c1-15(2)9-5-10-16(3)12(6-4-11-17)13(18)7-8-14(15)16/h12,14,17H,4-11H2,1-3H3/t12-,14-,16+/m0/s1
InChIKey QXPPLMROMVTKLP-DUVNUKRYSA-N
Mol Weight 252.4 g/mol
Molecular Formula C16H28O2
Exact Mass 252.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FIhQPObYesy
Name 13-Hydroxy-14,15,16,20-tetranorlabdan-8-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.208930140 u
Formula C16H28O2
InChI InChI=1S/C16H28O2/c1-15(2)9-5-10-16(3)12(6-4-11-17)13(18)7-8-14(15)16/h12,14,17H,4-11H2,1-3H3/t12-,14-,16+/m0/s1
InChIKey QXPPLMROMVTKLP-DUVNUKRYSA-N
Molecular Weight 252.398 g/mol
SMILES C1C[C@]2([C@](C(C1)(C)C)(CCC([C@@]2(CCCO)[H])=O)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919714