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2,1-Benzisoxazole, 3,3a,4,5,6,7-hexahydro-3-methyl-7-(2-propenyl)-, (3.alpha.,3a.beta.,7.alpha.)-
SpectraBase Compound ID 9nJq11tyVNl
InChI InChI=1S/C11H17NO/c1-3-5-9-6-4-7-10-8(2)13-12-11(9)10/h3,8-10H,1,4-7H2,2H3/t8-,9+,10+/m1/s1
InChIKey RMJGKVANYWQKNJ-UTLUCORTSA-N
Mol Weight 179.26 g/mol
Molecular Formula C11H17NO
Exact Mass 179.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Njv32GPWlc
Name 2,1-Benzisoxazole, 3,3a,4,5,6,7-hexahydro-3-methyl-7-(2-propenyl)-, (3.alpha.,3a.beta.,7.alpha.)-
CAS Registry Number 122045-15-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO
InChI InChI=1S/C11H17NO/c1-3-5-9-6-4-7-10-8(2)13-12-11(9)10/h3,8-10H,1,4-7H2,2H3/t8-,9+,10+/m1/s1
InChIKey RMJGKVANYWQKNJ-UTLUCORTSA-N
Molecular Weight 179.263 g/mol
SMILES C12=NO[C@@]([C@@]2(CCC[C@@]1(CC=C)[H])[H])(C)[H]
SPLASH splash10-004r-0900000000-af6836a1b5aa12fe430c
Source of Spectrum KC-1989-295-12
Synonyms (3R,3aR,7R)-7-allyl-3-methyl-3,3a,4,5,6,7-hexahydro-2,1-benzisoxazole (3RS,3aSR,7SR)-7-allyl-3-methyl-3,3a,4,5,6,7-hexahydro-benz[c]isoxazole
Wiley ID 1175429