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Methyl 6-methyl heptanoate
SpectraBase Compound ID AFF1Zv4uHkv
InChI InChI=1S/C9H18O2/c1-8(2)6-4-5-7-9(10)11-3/h8H,4-7H2,1-3H3
InChIKey QIYDQYBDGDYJKD-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Mlassodea
Name Methyl 6-methylheptanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-8(2)6-4-5-7-9(10)11-3/h8H,4-7H2,1-3H3
InChIKey QIYDQYBDGDYJKD-UHFFFAOYSA-N
Instrument Name HP7890A
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.7.200
Molecular Weight 158.241 g/mol
SMILES COC(CCCCC(C)C)=O
SPLASH splash10-0abi-9100000000-88eb01fd9f984c30f7c8
Source of Spectrum BJO-7-SM17-118a
Thin-Layer Chromatography Rf = 0.36 (hexane/ethyl acetate, 5:1)
Wiley ID 1867185