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Madolin-H

View entire compound with spectra: 1 MS (GC)

Madolin-H
SpectraBase Compound ID HlVmGVL5qaF
InChI InChI=1S/C17H24O3/c1-12-5-4-6-14(11-18)9-15-10-17(15,3)16(8-7-12)20-13(2)19/h5,9,11,15-16H,4,6-8,10H2,1-3H3/b12-5+,14-9-/t15-,16-,17-/m1/s1
InChIKey YFWZAYJNGCRZLG-ZUBBQWMBSA-N
Mol Weight 276.38 g/mol
Molecular Formula C17H24O3
Exact Mass 276.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JH737B8bRqR
Name Madolin-H
Alternate Name(s) (1R,2R,11S)-9-formyl-1,5-dimethylbicyclo[9.1.0]dodeca-5,9-dien-2-yl acetate Acetic acid (5E,9Z)-(1R,2R,11S)-9-formyl-1,5-dimethyl-bicyclo[9.1.0]dodeca-5,9-dien-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O3
InChI InChI=1S/C17H24O3/c1-12-5-4-6-14(11-18)9-15-10-17(15,3)16(8-7-12)20-13(2)19/h5,9,11,15-16H,4,6-8,10H2,1-3H3/b12-5+,14-9-/t15-,16-,17-/m1/s1
InChIKey YFWZAYJNGCRZLG-ZUBBQWMBSA-N
Molecular Weight 276.376 g/mol
SMILES [C@@]12([C@@](\C=C/(C=O)CC\C=C\(CC[C@]2(OC(=O)C)[H])C)([H])C1)C
SPLASH splash10-0aou-9710000000-f1c5fa34803cce1d4dbe
Source of Spectrum AT-39-8148-3
Wiley ID 854306