For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Methyl-(E)-eremophila-1-(10),7-(11)-dien-12-oate
SpectraBase Compound ID BUBOitnssjL
InChI InChI=1S/C16H24O2/c1-11-6-5-7-14-9-8-13(10-16(11,14)3)12(2)15(17)18-4/h7,11H,5-6,8-10H2,1-4H3/b13-12+/t11-,16+/m1/s1
InChIKey IQNNVJGAZGSJBO-IAQDNRCKSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 33mC1AXUGLH
Name Methyl-(E)-eremophila-1-(10),7-(11)-dien-12-oate
Classification Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 248.177630011 u
Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-11-6-5-7-14-9-8-13(10-16(11,14)3)12(2)15(17)18-4/h7,11H,5-6,8-10H2,1-4H3/b13-12+/t11-,16+/m1/s1
InChIKey IQNNVJGAZGSJBO-IAQDNRCKSA-N
Molecular Weight 248.366 g/mol
Number of Peaks 26
SMILES C1C[C@@](C)([C@@]2(C\C(CCC2=C1)=C/(C)C(OC)=O)C)[H]
SPLASH splash10-0ar3-6920000000-0e147aacdb78057b9538
Source of Spectrum FF-15-403-139 (DOI: 10.1002_1099-1026(200011_12)15_6_395)
Synonyms (E)-methyl 2-((8R,8aS)-8,8a-dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propanoate (2E)-2-[(8R,8aS)-8,8a-dimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-ylidene]propanoic acid methyl ester Methyl (2E)-2-[(8R,8aS)-8,8a-dimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-ylidene]propanoate
Wiley ID 1775275