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Methyl strictate
SpectraBase Compound ID E6RfjfEYOms
InChI InChI=1S/C21H28O3/c1-16-8-9-17(2)21(3,13-10-18-11-14-24-15-18)12-6-5-7-19(16)20(22)23-4/h5-7,11,14-15,17H,1,8-10,12-13H2,2-4H3/b6-5-,19-7+/t17-,21+/m1/s1
InChIKey UQBKEKGILPGMIT-MISDPLDRSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8jXwIgZ8Q9g
Name Methyl strictate
CAS Registry Number 70387-35-8
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 328.203844759 u
Formula C21H28O3
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/C21H28O3/c1-16-8-9-17(2)21(3,13-10-18-11-14-24-15-18)12-6-5-7-19(16)20(22)23-4/h5-7,11,14-15,17H,1,8-10,12-13H2,2-4H3/b6-5-,19-7+/t17-,21+/m1/s1
InChIKey UQBKEKGILPGMIT-MISDPLDRSA-N
Molecular Weight 328.452 g/mol
Nominal Mass 328 u
Number of Peaks 112
SMILES COC(\C=1C(CC[C@]([C@](CCc2ccoc2)(C\C=C/C/1)C)(C)[H])=C)=O
SPLASH splash10-001l-9500000000-668ef1f05b89cb72099a
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000960