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Warburganal
SpectraBase Compound ID 3vUzIPDImAZ
InChI InChI=1S/C15H22O3/c1-13(2)7-4-8-14(3)12(13)6-5-11(9-16)15(14,18)10-17/h5,9-10,12,18H,4,6-8H2,1-3H3/t12-,14-,15-/m0/s1
InChIKey QGMWDUUHVVLHNP-QEJZJMRPSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4oe5eQPJJ2
Name Warburganal
CAS Registry Number 62994-47-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C15H22O3/c1-13(2)7-4-8-14(3)12(13)6-5-11(9-16)15(14,18)10-17/h5,9-10,12,18H,4,6-8H2,1-3H3/t12-,14-,15-/m0/s1
InChIKey QGMWDUUHVVLHNP-QEJZJMRPSA-N
Molecular Weight 250.338 g/mol
SMILES O[C@]1(C(=CC[C@]2(C(CCC[C@]12C)(C)C)[H])C=O)C=O
SPLASH splash10-0abc-6920000000-8699183ba4633f343860
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887163