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Isobenzofuran, 1,3,3a,4,5,7a-hexahydro-5-methyl-4-(1-propenyl)-, [3a.alpha.,4.alpha.(Z),5.beta.,7a.alpha.]-
SpectraBase Compound ID FJdoM09zov4
InChI InChI=1S/C12H18O/c1-3-4-11-9(2)5-6-10-7-13-8-12(10)11/h3-6,9-12H,7-8H2,1-2H3/b4-3-/t9-,10-,11+,12+/m0/s1
InChIKey WBNDMXYHENKYQZ-BIDMRRHWSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zfsaP3eyLG
Name Isobenzofuran, 1,3,3a,4,5,7a-hexahydro-5-methyl-4-(1-propenyl)-, [3a.alpha.,4.alpha.(Z),5.beta.,7a.alpha.]-
Alternate Name(s) (3a.alpha.,4.alpha.,5.beta.,7a.alpha.)-5-methyl-4-(Z)-propenyl-1,3,3a,4,5,7a-hexahydro-isobenzofurna (3aS,4R,5S,7aR)-5-methyl-4-[(1Z)-1-propenyl]-1,3,3a,4,5,7a-hexahydro-2-benzofuran
CAS Registry Number 131515-22-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-3-4-11-9(2)5-6-10-7-13-8-12(10)11/h3-6,9-12H,7-8H2,1-2H3/b4-3-/t9-,10-,11+,12+/m0/s1
InChIKey WBNDMXYHENKYQZ-BIDMRRHWSA-N
Molecular Weight 178.275 g/mol
SMILES [C@]1([C@]2([C@@](COC2)([H])C=C[C@@]1(C)[H])[H])(\C=C/C)[H]
SPLASH splash10-000x-9300000000-535636c8f5957380f7e4
Source of Spectrum C-113-664-23
Wiley ID 1174764