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4-Heptanol

View entire compound with spectra: 7 NMR, 5 FTIR, 1 Raman, 19 MS (GC), and 2 Near IR

4-Heptanol
SpectraBase Compound ID 7gbIBM3FQpN
InChI InChI=1S/C7H16O/c1-3-5-7(8)6-4-2/h7-8H,3-6H2,1-2H3
InChIKey YVBCULSIZWMTFY-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 kYuqFNop3q
Name 4-Heptanol
CAS Registry Number 589-55-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H16O
InChI InChI=1S/C7H16O/c1-3-5-7(8)6-4-2/h7-8H,3-6H2,1-2H3
InChIKey YVBCULSIZWMTFY-UHFFFAOYSA-N
Molecular Weight 116.204 g/mol
SMILES OC(CCC)CCC
SPLASH splash10-0abc-9000000000-eecf0cce0fca4b3495b6
Synonyms CH3(CH2)2CHOH(CH2)2CH3 di-n-Propylcarbinol Dipropylcarbinol Heptan-4-ol n-Heptan-4-ol EINECS 209-651-7 NSC 8695
Wiley ID 1494033