(3Z)-3-[(2S,3S,4S)-6-bromo-3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4-hydroxypent-3-en-2-one

SpectraBase Compound ID	3JNtgcCkHTc
InChI	InChI=1S/C15H13BrCl3NO5/c1-6(21)11(7(2)22)12-9-5-8(16)3-4-10(9)25-14(15(17,18)19)13(12)20(23)24/h3-5,12-14,21H,1-2H3/b11-6+/t12-,13-,14-/m0/s1
InChIKey	PDOMCSKRLYLTKS-HAAZFRHNSA-N Google Search
Mol Weight	473.53 g/mol
Molecular Formula	C15H13BrCl3NO5
Exact Mass	470.904269 g/mol

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SpectraBase Spectrum ID	4x3uW01wrHv
Name	(3Z)-3-[(2S,3S,4S)-6-bromo-3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4-hydroxypent-3-en-2-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C15H13BrCl3NO5
InChI	InChI=1S/C15H13BrCl3NO5/c1-6(21)11(7(2)22)12-9-5-8(16)3-4-10(9)25-14(15(17,18)19)13(12)20(23)24/h3-5,12-14,21H,1-2H3/b11-6+/t12-,13-,14-/m0/s1
InChIKey	PDOMCSKRLYLTKS-HAAZFRHNSA-N
Molecular Weight	473.534 g/mol
SMILES	O\C(=C\([C@]1([C@@]([C@](Oc2c1cc(cc2)Br)(C(Cl)(Cl)Cl)[H])(N(=O)=O)[H])[H])C(=O)C)C
SPLASH	splash10-0006-9463000000-2fbbc791742d3d967105
Source of Spectrum	IY-2-4973-7
Synonyms	3-Penten-2-one, 3-[6-bromo-3,4-dihydro-3-nitro-2-(trichloromethyl)-2H-1-benzopyran-4-yl]-4-hydroxy-, (Z)-3-[(2S,3S,4S)-6-bromo-3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4-hydroxy-3-penten-2-one (Z)-3-[(2S,3S,4S)-6-bromo-3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-chromen-4-yl]-4-hydroxypent-3-en-2-one (Z)-3-[(2S,3S,4S)-6-bromanyl-3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-chromen-4-yl]-4-oxidanyl-pent-3-en-2-one
Wiley ID	1657720