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2-Propenal, 3-[2-(2,2-dimethyl-3-butynyl)-3,8-dimethyl-4-oxo-1-oxaspiro[4.4]nona-2,6-dien-6-yl]-2-methyl-,[5R-[5.alpha.,6E,8.beta.]]-,
SpectraBase Compound ID 56XC6QCrqQL
InChI InChI=1S/C20H24O3/c1-7-19(5,6)11-17-15(4)18(22)20(23-17)10-13(2)8-16(20)9-14(3)12-21/h1,8-9,12-13H,10-11H2,2-6H3/b14-9+/t13-,20+/m1/s1
InChIKey LOOLRGVRDLBCRF-KLKUSUMTSA-N
Mol Weight 312.41 g/mol
Molecular Formula C20H24O3
Exact Mass 312.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cXM1EV55qv
Name 2-Propenal, 3-[2-(2,2-dimethyl-3-butynyl)-3,8-dimethyl-4-oxo-1-oxaspiro[4.4]nona-2,6-dien-6-yl]-2-methyl-,[5R-[5.alpha.,6E,8.beta.]]-,
CAS Registry Number 142843-60-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O3
InChI InChI=1S/C20H24O3/c1-7-19(5,6)11-17-15(4)18(22)20(23-17)10-13(2)8-16(20)9-14(3)12-21/h1,8-9,12-13H,10-11H2,2-6H3/b14-9+/t13-,20+/m1/s1
InChIKey LOOLRGVRDLBCRF-KLKUSUMTSA-N
Molecular Weight 312.409 g/mol
SMILES [C@]12(C(\C=C\(C=O)C)=C[C@](C2)(C)[H])OC(CC(C#C)(C)C)=C(C1=O)C
SPLASH splash10-00mk-3920000000-8a7b65e507cf0e53881d
Source of Spectrum C-114-7696-19
Synonyms (2E)-3-[(5R,8S)-2-(2,2-dimethyl-3-butynyl)-3,8-dimethyl-4-oxo-1-oxaspiro[4.4]nona-2,6-dien-6-yl]-2-methyl-2-propenal
Wiley ID 1313703