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1-Heptanol, 4-methyl-
SpectraBase Compound ID 87aXGF1OUEv
InChI InChI=1S/C8H18O/c1-3-5-8(2)6-4-7-9/h8-9H,3-7H2,1-2H3
InChIKey LLUQZGDMUIMPTC-UHFFFAOYSA-N
Mol Weight 130.23 g/mol
Molecular Formula C8H18O
Exact Mass 130.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxaVvdnlTcK
Name 1-Heptanol, 4-methyl-
CAS Registry Number 817-91-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H18O
InChI InChI=1S/C8H18O/c1-3-5-8(2)6-4-7-9/h8-9H,3-7H2,1-2H3
InChIKey LLUQZGDMUIMPTC-UHFFFAOYSA-N
Molecular Weight 130.231 g/mol
SMILES OCCCC(CCC)C
SPLASH splash10-052f-9000000000-f3f452e97021c41d84b2
Source of Spectrum NP-0-7908-0
Synonyms 4-Methyl-1-heptanol 4-Methylheptan-1-ol
Wiley ID 1097116