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(1,4'-18O2)methyl abscisate

View entire compound with spectra: 1 MS (GC)

(1,4'-18O2)methyl abscisate
SpectraBase Compound ID EPzDpDSwrFs
InChI InChI=1S/C16H22O4/c1-11(8-14(18)20-5)6-7-16(19)12(2)9-13(17)10-15(16,3)4/h6-9,19H,10H2,1-5H3/b7-6+,11-8-/i17+2,18+2
InChIKey HHDYPZVHXGPCRG-IHDUEQFKSA-N
Mol Weight 282.35 g/mol
Molecular Formula C16H22O218O2
Exact Mass 282.160299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17GTr9lmSCv
Name (1,4'-18O2)methyl abscisate
Comments Original formula: C16H22O2[18O]2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-11(8-14(18)20-5)6-7-16(19)12(2)9-13(17)10-15(16,3)4/h6-9,19H,10H2,1-5H3/b7-6+,11-8-/i17+2,18+2
InChIKey HHDYPZVHXGPCRG-IHDUEQFKSA-N
Molecular Weight 282.348 g/mol
SMILES OC1(C(=CC(CC1(C)C)=[18O])C)\C=C\C(=C/C(=[18O])OC)C
SPLASH splash10-0006-4920000000-c43971faaa30f79e63ff
Source of Spectrum KB-74-921-2
Wiley ID 1282125