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Herbaric acid
SpectraBase Compound ID HhWrSqXxyRm
InChI InChI=1S/C10H8O6/c11-4-1-5-7(3-8(13)14)16-10(15)9(5)6(12)2-4/h1-2,7,11-12H,3H2,(H,13,14)
InChIKey YIQRZXRYUUYARN-UHFFFAOYSA-N
Mol Weight 224.17 g/mol
Molecular Formula C10H8O6
Exact Mass 224.032088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DytzZzl0YEw
Name Herbaric acid
Appearance Brown amorphous powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8O6
InChI InChI=1S/C10H8O6/c11-4-1-5-7(3-8(13)14)16-10(15)9(5)6(12)2-4/h1-2,7,11-12H,3H2,(H,13,14)
InChIKey YIQRZXRYUUYARN-UHFFFAOYSA-N
Instrument Name Finningan MAT 8430 or Finnigan MAT TSQ-7000 or Finnigan MAT Incos 50
Ionization Type EI
Literature Reference DOI 10.1021/np010390i
Molecular Weight 224.168 g/mol
Optical Rotation [a]D = -27 (c = 0.184, MeOH)
SMILES Oc1cc(cc2C(CC(O)=O)OC(c12)=O)O
SPLASH splash10-00or-0910000000-9a96ed82fd7a4e4b75df
Source of Spectrum G4-65-733-7
Wiley ID 1883633