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Zizanoic acid
SpectraBase Compound ID Id7LxKZ5X1w
InChI InChI=1S/C15H22O2/c1-9-11-4-5-12(13(16)17)15(11)7-6-10(8-15)14(9,2)3/h10-12H,1,4-8H2,2-3H3,(H,16,17)/t10-,11-,12-,15-/m1/s1
InChIKey IJGMVUXEZUEDJR-RTWAVKEYSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzRVqLd3IB3
Name Zizanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-9-11-4-5-12(13(16)17)15(11)7-6-10(8-15)14(9,2)3/h10-12H,1,4-8H2,2-3H3,(H,16,17)/t10-,11-,12-,15-/m1/s1
InChIKey IJGMVUXEZUEDJR-RTWAVKEYSA-N
Literature Reference DOI 10.1002/cbdv.201400079
Molecular Weight 234.339 g/mol
SMILES OC([C@]1(CC[C@]2([C@@]11C[C@](C(C)(C)C2=C)(CC1)[H])[H])[H])=O
SPLASH splash10-014m-5910000000-81c2ec363cf9e4e94452
Source of Spectrum CBD-11-1839-15
Synonyms (3S,3aR,6R,8aS)-7,7-Dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulene-3-carboxylic acid
Wiley ID 1771384