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Isopropyl haematommate
SpectraBase Compound ID HRipdLkkqEL
InChI InChI=1S/C12H14O5/c1-6(2)17-12(16)10-7(3)4-9(14)8(5-13)11(10)15/h4-6,14-15H,1-3H3
InChIKey BECXOCBQWLOZFB-UHFFFAOYSA-N
Mol Weight 238.24 g/mol
Molecular Formula C12H14O5
Exact Mass 238.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID b5QD76DbiG
Name Isopropyl haematommate
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O5
InChI InChI=1S/C12H14O5/c1-6(2)17-12(16)10-7(3)4-9(14)8(5-13)11(10)15/h4-6,14-15H,1-3H3
InChIKey BECXOCBQWLOZFB-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C and Agilent-7693
Ionization Type EI
Literature Reference DOI 10.1002/ffj.3578
Molecular Weight 238.239 g/mol
SMILES Oc1c(c(cc(c1C(OC(C)C)=O)C)O)C=O
SPLASH splash10-0udi-1910000000-ec717236fc50de60376b
Source of Spectrum 10.1002/ffj.3578
Wiley ID 1856253