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2BrsaQWfuXl
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2BrsaQWfuXl
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Acetic acid (E)-(S)-1-methyl-3-((1R,5S)-2,5,6,6-tetramethyl-cyclohex-2-enyl)-allyl ester
SpectraBase Compound ID ETFaInnTcz7
InChI InChI=1S/C16H26O2/c1-11-7-8-12(2)16(5,6)15(11)10-9-13(3)18-14(4)17/h7,9-10,12-13,15H,8H2,1-6H3/b10-9+/t12-,13-,15+/m0/s1
InChIKey IZHZBWHZUFBFKQ-YETSSQPJSA-N
Mol Weight 250.38 g/mol
Molecular Formula C16H26O2
Exact Mass 250.19328 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BrsaQWfuXl
Name Acetic acid (E)-(S)-1-methyl-3-((1R,5S)-2,5,6,6-tetramethyl-cyclohex-2-enyl)-allyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O2
InChI InChI=1S/C16H26O2/c1-11-7-8-12(2)16(5,6)15(11)10-9-13(3)18-14(4)17/h7,9-10,12-13,15H,8H2,1-6H3/b10-9+/t12-,13-,15+/m0/s1
InChIKey IZHZBWHZUFBFKQ-YETSSQPJSA-N
Molecular Weight 250.382 g/mol
SMILES [C@]1(C([C@@](C)(CC=C1C)[H])(C)C)(\C=C\[C@@](OC(=O)C)(C)[H])[H]
SPLASH splash10-0ac0-0900000000-4b29fa65e96b023c55fa
Source of Spectrum H-84-3661-10
Synonyms (1S,2E)-1-methyl-3-[(1R,5S)-2,5,6,6-tetramethyl-2-cyclohexen-1-yl]-2-propenyl acetate 4-[(5' S)-2',5',6',6'-Tetramethylcyclohex-2'-en-1'-yl]but-3-en-2-ol-acetate Acetic acid[(E,1S)-1-methyl-3-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]allyl]ester Acetic acid[(E,2S)-4-[(1R,5S)-2,5,6,6-tetramethyl-1-cyclohex-2-enyl]but-3-en-2-yl]ester [(E,1S)-1-methyl-3-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]allyl]acetate [(E,2S)-4-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]but-3-en-2-yl]acetate [(E,2S)-4-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]but-3-en-2-yl]ethanoate Acetic acid [(E,2S)-4-[(1R,5S)-2,5,6,6-tetramethyl-1-cyclohex-2-enyl]but-3-en-2-yl] ester [(E,2S)-4-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]but-3-en-2-yl] acetate [(E,1S)-1-methyl-3-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]allyl] acetate [(E,2S)-4-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]but-3-en-2-yl] ethanoate
Wiley ID 847900
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