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6H-2,5a-Epoxy-1-benzoxepin-4(5H)-one, hexahydro-2-methyl-, (2.alpha.,5a.alpha.,9a.beta.)-
SpectraBase Compound ID IpyPNZOHH8X
InChI InChI=1S/C11H16O3/c1-10-6-8(12)7-11(14-10)5-3-2-4-9(11)13-10/h9H,2-7H2,1H3
InChIKey CSFWEUKIYJSLTF-UHFFFAOYSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8fUR5lUazpm
Name 6H-2,5a-Epoxy-1-benzoxepin-4(5H)-one, hexahydro-2-methyl-, (2.alpha.,5a.alpha.,9a.beta.)-
Alternate Name(s) 1-Methyl-2,12-dioxatricyclo[6.3.1.0(3,8)]dodecan-10-one 8-Methyl-7,12-dioxatricyclo[6.3.1.0(1,6)]dodecan-10-one
CAS Registry Number 97149-47-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-10-6-8(12)7-11(14-10)5-3-2-4-9(11)13-10/h9H,2-7H2,1H3
InChIKey CSFWEUKIYJSLTF-UHFFFAOYSA-N
Molecular Weight 196.246 g/mol
SMILES C12(OC3(CCCCC3O2)CC(C1)=O)C
SPLASH splash10-000f-9500000000-0bd8dffc5b2a2c0c663a
Source of Spectrum KC-1985-286-6
Wiley ID 1193192