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3,5-Heptadien-2-one, 6-(2,2,3-trimethylcyclobutyl)-, [1S-[1.alpha.(3E,5Z),3.alpha.]]-
SpectraBase Compound ID JDDJk0TmNE1
InChI InChI=1S/C14H22O/c1-10(7-6-8-12(3)15)13-9-11(2)14(13,4)5/h6-8,11,13H,9H2,1-5H3/b8-6+,10-7-/t11-,13-/m0/s1
InChIKey ZVDLDMGPRHGZMN-ONZKMIOKSA-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 ECFW3ZWNBjI
Name 3,5-Heptadien-2-one, 6-(2,2,3-trimethylcyclobutyl)-, [1S-[1.alpha.(3E,5Z),3.alpha.]]-
CAS Registry Number 90164-89-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O
InChI InChI=1S/C14H22O/c1-10(7-6-8-12(3)15)13-9-11(2)14(13,4)5/h6-8,11,13H,9H2,1-5H3/b8-6+,10-7-/t11-,13-/m0/s1
InChIKey ZVDLDMGPRHGZMN-ONZKMIOKSA-N
Molecular Weight 206.329 g/mol
SMILES [C@]1(C(C)(C)[C@](C1)(C)[H])(\C(=C/C=C/C(=O)C)C)[H]
SPLASH splash10-006x-9600000000-b872431d32f69813fcd7
Source of Spectrum H-67-329-0
Synonyms (3E,5Z)-6-[(1S,3S)-2,2,3-trimethylcyclobutyl]-3,5-heptadien-2-one (3E,5Z,1'S,3'S)-6-(2',2',3'-trimethylcyclobutyl)-3,5-heptadien-2-one
Wiley ID 1204939