For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2,6-Heptanedione
SpectraBase Compound ID 8BEZV6z2mYS
InChI InChI=1S/C7H12O2/c1-6(8)4-3-5-7(2)9/h3-5H2,1-2H3
InChIKey VAIFYHGFLAPCON-UHFFFAOYSA-N
Mol Weight 128.17 g/mol
Molecular Formula C7H12O2
Exact Mass 128.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KW8oMI5h32k
Name 2,6-Heptanedione
Alternate Name(s) 2,6-Heptadione Heptane-2,6-dione EINECS 236-832-8 NSC 315627
CAS Registry Number 13505-34-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2
InChI InChI=1S/C7H12O2/c1-6(8)4-3-5-7(2)9/h3-5H2,1-2H3
InChIKey VAIFYHGFLAPCON-UHFFFAOYSA-N
Molecular Weight 128.171 g/mol
SMILES C(=O)(CCCC(=O)C)C
SPLASH splash10-052g-9000000000-f8ae2754dd0e5748819c
Source of Spectrum F9-1989-2048-0
Wiley ID 1566107