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3WLL3z0Cry5
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3WLL3z0Cry5
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Mass Spectrum (GC)
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4,7-Methanoisobenzofuran-1(3H)-one, 7a-ethyl-3a,4,7,7a-tetrahydro-3-methyl-, [3R-(3.alpha.,3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)]-
SpectraBase Compound ID 5ooW7XVc44q
InChI InChI=1S/C12H16O2/c1-3-12-9-5-4-8(6-9)10(12)7(2)14-11(12)13/h4-5,7-10H,3,6H2,1-2H3/t7-,8+,9-,10+,12-/m1/s1
InChIKey SYXUNGJAAAJAKA-RACFRTOFSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3WLL3z0Cry5
Name 4,7-Methanoisobenzofuran-1(3H)-one, 7a-ethyl-3a,4,7,7a-tetrahydro-3-methyl-, [3R-(3.alpha.,3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)]-
CAS Registry Number 115183-48-7
Comments Edited after expert review for CHCl3 contamination - Original record with SpectrumID 1188736 moved to the Legacy library
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-3-12-9-5-4-8(6-9)10(12)7(2)14-11(12)13/h4-5,7-10H,3,6H2,1-2H3/t7-,8+,9-,10+,12-/m1/s1
InChIKey SYXUNGJAAAJAKA-RACFRTOFSA-N
Molecular Weight 192.258 g/mol
SMILES C1([C@@]2([C@@]3(C=C[C@@]([C@]2([H])[C@](O1)(C)[H])([H])C3)[H])CC)=O
SPLASH splash10-016r-9600000000-b0b521647c48dcb15185
Source of Spectrum J-53-4394-6
Synonyms (1S,2R,5R,6S,7R)-2-ethyl-5-methyl-4-oxatricyclo[5.2.1.0(2,6)]dec-8-en-3-one
Wiley ID 1821431
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