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(3S,4aR,7E,11aS)-3-methoxy-7-methyl-3,4,4a,5,6,9,10,11a-octahydro-1H-cyclonona[c]pyran-11-one
SpectraBase Compound ID 1MSzr5mSdD9
InChI InChI=1S/C14H22O3/c1-10-4-3-5-13(15)12-9-17-14(16-2)8-11(12)7-6-10/h4,11-12,14H,3,5-9H2,1-2H3/b10-4+/t11-,12-,14+/m1/s1
InChIKey DSKSAHIGQACEOV-UHEBKQLESA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CjTJ9D6sYF5
Name (3S,4aR,7E,11aS)-3-methoxy-7-methyl-3,4,4a,5,6,9,10,11a-octahydro-1H-cyclonona[c]pyran-11-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-10-4-3-5-13(15)12-9-17-14(16-2)8-11(12)7-6-10/h4,11-12,14H,3,5-9H2,1-2H3/b10-4+/t11-,12-,14+/m1/s1
InChIKey DSKSAHIGQACEOV-UHEBKQLESA-N
Molecular Weight 238.327 g/mol
SMILES [C@]12([C@@](C[C@](OC2)(OC)[H])(CC\C(C)=C\CCC1=O)[H])[H]
SPLASH splash10-066s-9100000000-be2111ce47d316fed250
Source of Spectrum AT-36-4982-13
Wiley ID 853170