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Pipitzol

View entire compound with spectra: 1 MS (GC)

Pipitzol <o-methyl, alpha->
SpectraBase Compound ID JufnWFtGrip
InChI InChI=1S/C16H22O3/c1-8-6-7-10-15(3,4)11-9(2)12(19-5)14(18)16(8,10)13(11)17/h8,10-11H,6-7H2,1-5H3/t8-,10?,11-,16-/m1/s1
InChIKey NFANDAUYLLKKGW-PTJLALBXSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9LqLuuNBAKL
Name Pipitzol
CAS Registry Number 103768-62-3
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 262.156894565 u
Formula C16H22O3
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
InChI InChI=1S/C16H22O3/c1-8-6-7-10-15(3,4)11-9(2)12(19-5)14(18)16(8,10)13(11)17/h8,10-11H,6-7H2,1-5H3/t8-,10?,11-,16-/m1/s1
InChIKey NFANDAUYLLKKGW-PTJLALBXSA-N
Molecular Weight 262.349 g/mol
Nominal Mass 262 u
Number of Peaks 213
SMILES COC1=C([C@]2(C(C3[C@](C1=O)([C@@](CC3)(C)[H])C2=O)(C)C)[H])C
SPLASH splash10-06si-4890000000-4b30afd1bf5816cff4ea
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001144