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2-Methoxy-5.beta.-methyl-6.alpha.-(3,4-(methylenedioxy)phenyl)-4.alpha.-propyl-2-cycloheptenone
SpectraBase Compound ID BqAE8l4baAV
InChI InChI=1S/C19H24O4/c1-4-5-13-8-18(21-3)16(20)10-15(12(13)2)14-6-7-17-19(9-14)23-11-22-17/h6-9,12-13,15H,4-5,10-11H2,1-3H3/t12-,13+,15-/m1/s1
InChIKey ZUEXYZVEWMFAMR-VNHYZAJKSA-N
Mol Weight 316.4 g/mol
Molecular Formula C19H24O4
Exact Mass 316.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HqXK9R2r9yX
Name 2-Methoxy-5.beta.-methyl-6.alpha.-(3,4-(methylenedioxy)phenyl)-4.alpha.-propyl-2-cycloheptenone
CAS Registry Number 75522-13-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O4
InChI InChI=1S/C19H24O4/c1-4-5-13-8-18(21-3)16(20)10-15(12(13)2)14-6-7-17-19(9-14)23-11-22-17/h6-9,12-13,15H,4-5,10-11H2,1-3H3/t12-,13+,15-/m1/s1
InChIKey ZUEXYZVEWMFAMR-VNHYZAJKSA-N
Molecular Weight 316.397 g/mol
SMILES [C@@]1(CC(C(OC)=C[C@@]([C@]1(C)[H])(CCC)[H])=O)(c1cc2OCOc2cc1)[H]
SPLASH splash10-0a4i-9401000000-2221360af45c536ec68d
Source of Spectrum J-46-2-0
Synonyms (4R,5R,6R)-6-(1,3-benzodioxol-5-yl)-2-methoxy-5-methyl-4-propyl-2-cyclohepten-1-one
Wiley ID 1316907