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

*Links on SpectraBase are not permalinks.
(5aR,9aR)-2,2,3,3-tetramethyl-5a,6,7,9a-tetrahydro-1,4-benzodioxepin-5-one
SpectraBase Compound ID C6RwjkNe7eS
InChI InChI=1S/C13H20O3/c1-12(2)13(3,4)16-11(14)9-7-5-6-8-10(9)15-12/h6,8-10H,5,7H2,1-4H3/t9-,10-/m1/s1
InChIKey IQAXXEAEJWEZBM-NXEZZACHSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 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 BXuxBPPHtcQ
Name (5aR,9aR)-2,2,3,3-tetramethyl-5a,6,7,9a-tetrahydro-1,4-benzodioxepin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-12(2)13(3,4)16-11(14)9-7-5-6-8-10(9)15-12/h6,8-10H,5,7H2,1-4H3/t9-,10-/m1/s1
InChIKey IQAXXEAEJWEZBM-NXEZZACHSA-N
Molecular Weight 224.300 g/mol
SMILES C1(OC(C(C)(C)O[C@]2([C@]1(CCC=C2)[H])[H])(C)C)=O
SPLASH splash10-003r-9000000000-8a6c0db52bed30f427f1
Source of Spectrum KC-0-887-19
Wiley ID 824403