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Myrac aldehyde
SpectraBase Compound ID DWot29BEjcV
InChI InChI=1S/C13H20O/c1-11(2)4-3-5-12-6-8-13(10-14)9-7-12/h4,6,10,13H,3,5,7-9H2,1-2H3
InChIKey MQBIZQLCHSZBOI-UHFFFAOYSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1zoKAz4IBj
Name Myrac aldehyde
CAS Registry Number 37677-14-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O
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/C13H20O/c1-11(2)4-3-5-12-6-8-13(10-14)9-7-12/h4,6,10,13H,3,5,7-9H2,1-2H3
InChIKey MQBIZQLCHSZBOI-UHFFFAOYSA-N
Molecular Weight 192.302 g/mol
SMILES C(C=C(C)C)CC1=CCC(C=O)CC1
SPLASH splash10-00kf-9100000000-18fbb3d088083992d1ca
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887668