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(3E)-4-[trans-4',4',5'-trimethyl-2'-methylidenecyclohex-1'-yl]but-3-en-2-one
SpectraBase Compound ID 1CNivMRPng7
InChI InChI=1S/C14H22O/c1-10-9-14(4,5)11(2)8-13(10)7-6-12(3)15/h6-7,11,13H,1,8-9H2,2-5H3/b7-6+/t11-,13-/m1/s1
InChIKey MWXJUILWHHJPOB-BKVNPXPRSA-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 LSJ6y5XJ6le
Name (3E)-4-[trans-4',4',5'-trimethyl-2'-methylidenecyclohex-1'-yl]but-3-en-2-one
CAS Registry Number 127128-62-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O
InChI InChI=1S/C14H22O/c1-10-9-14(4,5)11(2)8-13(10)7-6-12(3)15/h6-7,11,13H,1,8-9H2,2-5H3/b7-6+/t11-,13-/m1/s1
InChIKey MWXJUILWHHJPOB-BKVNPXPRSA-N
Molecular Weight 206.329 g/mol
SMILES C1([C@](\C=C\C(=O)C)(C[C@](C(C1)(C)C)(C)[H])[H])=C
SPLASH splash10-052f-9600000000-55e49c1e15fcb1398ef0
Source of Spectrum H-72-1519-6
Synonyms (3E)-4-[(1S,5R)-4,4,5-trimethyl-2-methylenecyclohexyl]-3-buten-2-one
Wiley ID 1205200