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(+/-)-Jasmonic acid
SpectraBase Compound ID 26r0zSUywdo
InChI InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1
InChIKey ZNJFBWYDHIGLCU-HWKXXFMVSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fhPqLRWdpH
Name trans-Jasmonic acid
Source of Sample Sigma-Aldrich Cat. #14631
CAS Registry Number 77026-92-7
Classification Pesticides: Plant growth regulators
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 210.125594437 u
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1
InChIKey ZNJFBWYDHIGLCU-HWKXXFMVSA-N
Molecular Weight 210.273 g/mol
Number of Peaks 49
RI1 1714
SMILES OC(C[C@]1(CCC([C@@]1(C\C=C/CC)[H])=O)[H])=O
SPLASH splash10-000x-9300000000-2f10dbe5441c319dc032
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Cyclopentaneacetic acid, 3-oxo-2-(2Z)-2-penten-1-yl-, (1R,2R)-rel-
Wiley ID LM_PEST_469