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2-Oxatricyclo[6.4.0.0(1.6)]dodecan-9-one
SpectraBase Compound ID HirnL8jMJwD
InChI InChI=1S/C11H16O2/c12-10-4-1-5-11-8(7-9(10)11)3-2-6-13-11/h8-9H,1-7H2
InChIKey YLPVJTKCYWOMGI-UHFFFAOYSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28Az6R1ceoR
Name 2-Oxatricyclo[6.4.0.0(1.6)]dodecan-9-one
Alternate Name(s) Octahydrobenzo[1,4]cyclobuta[1,2-b]pyran-6(7H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c12-10-4-1-5-11-8(7-9(10)11)3-2-6-13-11/h8-9H,1-7H2
InChIKey YLPVJTKCYWOMGI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19921250921
Molecular Weight 180.247 g/mol
SMILES C1C(C2C3(CC1)C(C2)CCCO3)=O
SPLASH splash10-08fr-7900000000-fd4c36cdd5012b98e6c3
Source of Spectrum K-125-2125-2c
Wiley ID 1794591