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(+)-(1'S,5'S,3E)-4-(2',5',6',6'-TETRAMETHYLCYCLOHEX-2'-EN-1'-YL)-BUT-3-EN-2-ONE;((+)-(2S,6S)-TRANS-ALPHA-IRONE)
SpectraBase Compound ID 1HWwNQIEt9A
InChI InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+/t11-,13-/m1/s1
InChIKey JZQOJFLIJNRDHK-UULPFXLMSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FdLCbPd4Sp
Name (E)-4-[(1R,5R)-2,5,6,6-tetramethyl-1-cyclohex-2-enyl]-3-buten-2-one
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Formula C14H22O
InChI InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+/t11-,13-/m1/s1
InChIKey JZQOJFLIJNRDHK-UULPFXLMSA-N
Molecular Weight 206.329 g/mol
SMILES [C@]1(C([C@](C)(CC=C1C)[H])(C)C)(\C=C\C(=O)C)[H]
SPLASH splash10-0076-8900000000-1628c5d4a71f6232df1d
Source of Spectrum PR-333-0-0
Synonyms (E)-4-[(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]but-3-en-2-one
Wiley ID 1205249