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FFVVEMMXXVFAGX-ITLHPOFBSA-N

View entire compound with spectra: 1 NMR, and 1 MS (GC)

FFVVEMMXXVFAGX-ITLHPOFBSA-N
SpectraBase Compound ID Bp0WWAs7apK
InChI InChI=1S/C16H22O3/c1-15-7-4-8-16(2,14(18)19-3)13-11(15)6-5-10(9-17)12(13)15/h5,9,11-13H,4,6-8H2,1-3H3/t11-,12+,13-,15+,16?/m1/s1
InChIKey FFVVEMMXXVFAGX-ITLHPOFBSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RAjYLwjfQK
Name Methyl 12-formylongipin-9-en-15-oate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-15-7-4-8-16(2,14(18)19-3)13-11(15)6-5-10(9-17)12(13)15/h5,9,11-13H,4,6-8H2,1-3H3/t11-,12+,13-,15+,16?/m1/s1
InChIKey FFVVEMMXXVFAGX-ITLHPOFBSA-N
Molecular Weight 262.349 g/mol
SMILES [C@]12([C@]3(C(C=O)=CC[C@@]1([C@]3(C(C(=O)OC)(C)CCC2)[H])[H])[H])C
SPLASH splash10-0a6u-9610000000-2e6c397e552917da0345
Source of Spectrum X2-57-878-6
Wiley ID 1605493