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

*Links on SpectraBase are not permalinks.

1,3-Dioxan-4-one, 2-heptyl-6-methyl

View entire compound with spectra: 2 MS (GC)

1,3-Dioxan-4-one, 2-heptyl-6-methyl
SpectraBase Compound ID AW8MpLQWP0g
InChI InChI=1S/C12H22O3/c1-3-4-5-6-7-8-12-14-10(2)9-11(13)15-12/h10,12H,3-9H2,1-2H3
InChIKey CQFQJBVIUHQQMR-UHFFFAOYSA-N
Mol Weight 214.3 g/mol
Molecular Formula C12H22O3
Exact Mass 214.156895 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 GENWoEFOa75
Name 1,3-Dioxan-4-one, 2-heptyl-6-methyl
Alternate Name(s) 2-Heptyl-6-methyl-1,3-dioxan-4-one
CAS Registry Number 99902-24-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O3
InChI InChI=1S/C12H22O3/c1-3-4-5-6-7-8-12-14-10(2)9-11(13)15-12/h10,12H,3-9H2,1-2H3
InChIKey CQFQJBVIUHQQMR-UHFFFAOYSA-N
Molecular Weight 214.305 g/mol
SMILES C1(OC(C)CC(=O)O1)CCCCCCC
SPLASH splash10-014i-9200000000-f4eb88d4bcdf0a43a587
Wiley ID 1479241