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4,7-Methanoisobenzofuran-1(3H)-one, 3-ethyl-3a,4,7,7a-tetrahydro-7a-methyl-, (3.alpha.,3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-

View entire compound with spectra: 1 MS (GC)

4,7-Methanoisobenzofuran-1(3H)-one, 3-ethyl-3a,4,7,7a-tetrahydro-7a-methyl-, (3.alpha.,3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-
SpectraBase Compound ID AhT4o7O15dJ
InChI InChI=1S/C12H16O2/c1-3-9-10-7-4-5-8(6-7)12(10,2)11(13)14-9/h4-5,7-10H,3,6H2,1-2H3/t7-,8+,9+,10+,12+/m0/s1
InChIKey MGOWRFSAGDKMJF-PORUNHMFSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExNyQUNVGZo
Name 4,7-Methanoisobenzofuran-1(3H)-one, 3-ethyl-3a,4,7,7a-tetrahydro-7a-methyl-, (3.alpha.,3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-
CAS Registry Number 93617-33-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-3-9-10-7-4-5-8(6-7)12(10,2)11(13)14-9/h4-5,7-10H,3,6H2,1-2H3/t7-,8+,9+,10+,12+/m0/s1
InChIKey MGOWRFSAGDKMJF-PORUNHMFSA-N
Molecular Weight 192.258 g/mol
SMILES C1([C@@]2([C@@]3(C=C[C@@]([C@]2([H])[C@](O1)(CC)[H])([H])C3)[H])C)=O
SPLASH splash10-014i-9000000000-9c5da43b3184b14e0b01
Source of Spectrum F-44-2910-25
Synonyms (1S,2R,5R,6S,7R)-5-ethyl-2-methyl-4-oxatricyclo[5.2.1.0(2,6)]dec-8-en-3-one exo-5-ethyl-exo-2-methyl-endo-4-oxa-tricyclo[5.2.1.0**2,6]dec-8-en-3-one
Wiley ID 1188692