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(E)-2,3,6,7-Tetrahydro-4-methyl-2-(3-methylbuta-1,3-dienyl)oxepin
SpectraBase Compound ID ua4m5Wy7md
InChI InChI=1S/C12H18O/c1-10(2)6-7-12-9-11(3)5-4-8-13-12/h5-7,12H,1,4,8-9H2,2-3H3/b7-6+
InChIKey JEUOOEBZKFVZGG-VOTSOKGWSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BkzE3Z5g15f
Name (E)-2,3,6,7-Tetrahydro-4-methyl-2-(3-methylbuta-1,3-dienyl)oxepin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-10(2)6-7-12-9-11(3)5-4-8-13-12/h5-7,12H,1,4,8-9H2,2-3H3/b7-6+
InChIKey JEUOOEBZKFVZGG-VOTSOKGWSA-N
Literature Reference DOI 10.1002/hlca.19910740119
Molecular Weight 178.275 g/mol
SMILES C=1(CC(OCCC1)\C=C\C(=C)C)C
SPLASH splash10-0159-9000000000-fc76ae2bed369f69a0e1
Source of Spectrum H-74-185-rac_3
Synonyms (E)-4-methyl-2-(3-methylbuta-1,3-dien-1-yl)-2,3,6,7-tetrahydrooxepine
Wiley ID 1789184