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2,5,6-trimethylene-7-oxabicyclo[2.2.1]heptan-3-one
SpectraBase Compound ID 5bWoFQ28aR1
InChI InChI=1S/C9H8O2/c1-4-5(2)9-7(10)6(3)8(4)11-9/h8-9H,1-3H2
InChIKey HLQGJHVUXDBZQM-UHFFFAOYSA-N
Mol Weight 148.16 g/mol
Molecular Formula C9H8O2
Exact Mass 148.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5r78yUeJvDn
Name 2,5,6-trimethylene-7-oxabicyclo[2.2.1]heptan-3-one
CAS Registry Number 127750-96-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O2
InChI InChI=1S/C9H8O2/c1-4-5(2)9-7(10)6(3)8(4)11-9/h8-9H,1-3H2
InChIKey HLQGJHVUXDBZQM-UHFFFAOYSA-N
Molecular Weight 148.161 g/mol
SMILES C12C(C(=O)C(O2)C(C1=C)=C)=C
SPLASH splash10-0006-9100000000-64308316716c3c3cad88
Source of Spectrum H-73-11-2
Synonyms 2,5,6-trimethylidene-7-oxabicyclo[2.2.1]heptan-3-one 3,5,6-Trimethylidene-7-oxabicyclo[2.2.1]heptan-2-one 7-Oxabicyclo(2.2.1)heptanone, 3,5,6-trimethylidene-
Wiley ID 1145513