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CALENDIN
SpectraBase Compound ID If2GK7aqUyL
InChI InChI=1S/C11H16O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4,7,12H,5-6H2,1-3H3/t7-,11+/m0/s1
InChIKey XEVQXKKKAVVSMW-WRWORJQWSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXv1aea7dqk
Name Loliolide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4,7,12H,5-6H2,1-3H3/t7-,11+/m0/s1
InChIKey XEVQXKKKAVVSMW-WRWORJQWSA-N
Literature Reference DOI 10.1002/jccs.200200067
Molecular Weight 196.246 g/mol
SMILES O[C@@]1(C[C@@]2(C(C(C1)(C)C)=CC(O2)=O)C)[H]
SPLASH splash10-03fr-0900000000-91651254cddbf35f5616
Source of Spectrum QA-49-429-3
Synonyms (6S,7aR)-6-hydroxy-4,4,7a-trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one
Wiley ID 1795648