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

*Links on SpectraBase are not permalinks.
3-Acetyl-2,6-heptanedione
SpectraBase Compound ID J9alPXEAwhJ
InChI InChI=1S/C9H14O3/c1-6(10)4-5-9(7(2)11)8(3)12/h9H,4-5H2,1-3H3
InChIKey RQZJIXZNJBCGQC-UHFFFAOYSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 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 5EkywaOyhGh
Name 3-Acetyl-2,6-heptanedione
CAS Registry Number 29214-57-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-6(10)4-5-9(7(2)11)8(3)12/h9H,4-5H2,1-3H3
InChIKey RQZJIXZNJBCGQC-UHFFFAOYSA-N
Molecular Weight 170.208 g/mol
SMILES C(CCC(=O)C)(C(=O)C)C(=O)C
SPLASH splash10-0006-9400000000-eb7bdfa10668780e83af
Source of Spectrum KC-61-10770-25
Synonyms 2,6-Heptanedione, 3-acetyl- 3-Acetylheptane-2,6-dione 3-Ethanoylheptane-2,6-dione EINECS 249-517-5
Wiley ID 1631090