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2,4-[2H(2)]Tetrangulol
SpectraBase Compound ID AccLxqQyAob
InChI InChI=1S/C19H12O4/c1-9-7-10-5-6-12-17(15(10)14(21)8-9)19(23)11-3-2-4-13(20)16(11)18(12)22/h2-8,20-21H,1H3/i7D,8D
InChIKey NFUYRESOTVGLRL-QTQOOCSTSA-N
Mol Weight 306.31 g/mol
Molecular Formula C19H10D2O4
Exact Mass 306.086112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BfXUFvGDyya
Name 2,4-[2H(2)]Tetrangulol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H10D2O4
InChI InChI=1S/C19H12O4/c1-9-7-10-5-6-12-17(15(10)14(21)8-9)19(23)11-3-2-4-13(20)16(11)18(12)22/h2-8,20-21H,1H3/i7D,8D
InChIKey NFUYRESOTVGLRL-QTQOOCSTSA-N
Molecular Weight 306.313 g/mol
SMILES Oc1c2c3c(C(c4c(cccc4C3=O)O)=O)ccc2c(c(c1[D])C)[D]
SPLASH splash10-0a4i-0009000000-9f8e1cd415881700714d
Source of Spectrum C-116-1804-4
Wiley ID 1306641