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2-Oxabicyclo(2.2.2)-3-octanone

View entire compound with spectra: 1 FTIR, 1 Raman, and 1 MS (GC)

2-Oxabicyclo(2.2.2)-3-octanone
SpectraBase Compound ID 9157QetUBf8
InChI InChI=1S/C7H10O2/c8-7-5-1-3-6(9-7)4-2-5/h5-6H,1-4H2/t5-,6+
InChIKey NVORRKXXHHFWDH-OLQVQODUSA-N
Mol Weight 126.15 g/mol
Molecular Formula C7H10O2
Exact Mass 126.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8fHey9hc1Ed
Name Lactone of cis-p-hydroxyhexahydrobenzoic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O2
InChI InChI=1S/C7H10O2/c8-7-5-1-3-6(9-7)4-2-5/h5-6H,1-4H2/t5-,6+
InChIKey NVORRKXXHHFWDH-OLQVQODUSA-N
Molecular Weight 126.155 g/mol
SMILES C1(O[C@]2(CC[C@@]1(CC2)[H])[H])=O
SPLASH splash10-014i-9000000000-b756bee25bb2cc598f67
Source of Spectrum JX-2015-6-4078
Synonyms (1s,4s)-2-oxabicyclo[2.2.2]octan-3-one
Wiley ID 1728737