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(+-)-(1.alpha.,3.beta.,4.beta.,6.alpha.,7.alpha.)-7-(3-Methyl-3-butenyl)-4-((E)-6-methyl-2,6-heptadienyl)-1-methylbicyclo[4.1.0]hept-3-ol
SpectraBase Compound ID 4HqkBFCs23q
InChI InChI=1S/C21H34O/c1-15(2)9-7-6-8-10-17-13-19-18(12-11-16(3)4)21(19,5)14-20(17)22/h6,8,17-20,22H,1,3,7,9-14H2,2,4-5H3/b8-6+/t17-,18-,19-,20+,21+/m1/s1
InChIKey ZTVBDOQWTKGUIR-OCWUUEBISA-N
Mol Weight 302.5 g/mol
Molecular Formula C21H34O
Exact Mass 302.260966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hxn6bTB7h1s
Name (+-)-(1.alpha.,3.beta.,4.beta.,6.alpha.,7.alpha.)-7-(3-Methyl-3-butenyl)-4-((E)-6-methyl-2,6-heptadienyl)-1-methylbicyclo[4.1.0]hept-3-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O
InChI InChI=1S/C21H34O/c1-15(2)9-7-6-8-10-17-13-19-18(12-11-16(3)4)21(19,5)14-20(17)22/h6,8,17-20,22H,1,3,7,9-14H2,2,4-5H3/b8-6+/t17-,18-,19-,20+,21+/m1/s1
InChIKey ZTVBDOQWTKGUIR-OCWUUEBISA-N
Molecular Weight 302.502 g/mol
SMILES O[C@]1(C[C@@]2([C@@](C[C@]1(C\C=C\CCC(=C)C)[H])([H])[C@]2(CCC(=C)C)[H])C)[H]
SPLASH splash10-001i-9000000000-99658cffe673526d2608
Source of Spectrum J-60-4195-44
Synonyms (1S,3S,4R,6R,7R)-1-methyl-7-(3-methyl-3-butenyl)-4-[(2E)-6-methyl-2,6-heptadienyl]bicyclo[4.1.0]heptan-3-ol
Wiley ID 1305271