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Hepta-2,6-dien-1-ol
SpectraBase Compound ID 27HPPYmuzhq
InChI InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h2,5-6,8H,1,3-4,7H2/b6-5+
InChIKey HWUMVJBWKZMIKH-AATRIKPKSA-N
Mol Weight 112.17 g/mol
Molecular Formula C7H12O
Exact Mass 112.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZ8mkn0DLi3
Name Hepta-2,6-dien-1-ol
Alternate Name(s) (2E)-1-hepta-2,6-dienol (2E)-2,6-heptadien-1-ol (2E)-hepta-2,6-dien-1-ol
Comments Removed - expert review: contamination (CH2Cl2); A corrected record has been addded having SpectrumID: 1821140
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h2,5-6,8H,1,3-4,7H2/b6-5+
InChIKey HWUMVJBWKZMIKH-AATRIKPKSA-N
Molecular Weight 112.172 g/mol
SMILES OC\C=C\CCC=C
SPLASH splash10-000i-9000000000-45631efa32c2cdd447db
Source of Spectrum B-53-661-4
Wiley ID 746948