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2-Heptanol
SpectraBase Compound ID HP9gsGiV6U5
InChI InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3
InChIKey CETWDUZRCINIHU-UHFFFAOYSA-N
Mol Weight 116.2 g/mol
Molecular Formula C7H16O
Exact Mass 116.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63aoMAAebAL
Name heptan-2-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H16O
InChI InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3
InChIKey CETWDUZRCINIHU-UHFFFAOYSA-N
Instrument Name Shimadzu QP2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/cssc.201802138
Molecular Weight 116.204 g/mol
SMILES OC(CCCCC)C
SPLASH splash10-053r-9100000000-f8418099c1527bf901d8
Source of Spectrum CSC-12-SM9-2u
Wiley ID 1835460