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CIS-ALPHA-IRONE
SpectraBase Compound ID KNwRfaTnYcs
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-UZPJXDOOSA-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 Ke1t1JwkD0C
Name (+)-(2S:6R)-cis-alpha-Irone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-UZPJXDOOSA-N
Literature Reference DOI 10.1002/hlca.19710540705
Molecular Weight 206.329 g/mol
SMILES C(=O)(\C=C\[C@]1(C(C)=CC[C@@](C)(C1(C)C)[H])[H])C
SPLASH splash10-0076-9800000000-03cd2012c2e2acb0db06
Source of Spectrum H-54-1783-1
Synonyms (E)-4-((1S,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
Wiley ID 1796939