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(+-)-6-Chloro-2,3-dihydro-4H-1-benzopyran-3-carboxylic acid allyl ester
SpectraBase Compound ID E1sQAaKGyvV
InChI InChI=1S/C13H13ClO3/c1-2-5-16-13(15)10-6-9-7-11(14)3-4-12(9)17-8-10/h2-4,7,10H,1,5-6,8H2
InChIKey RRYRPKYYMDSAEK-UHFFFAOYSA-N
Mol Weight 252.7 g/mol
Molecular Formula C13H13ClO3
Exact Mass 252.055322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BZMk3mlPQi8
Name (+-)-6-Chloro-2,3-dihydro-4H-1-benzopyran-3-carboxylic acid allyl ester
Alternate Name(s) allyl 6-chloro-3-chromanecarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C13H13ClO3
InChI InChI=1S/C13H13ClO3/c1-2-5-16-13(15)10-6-9-7-11(14)3-4-12(9)17-8-10/h2-4,7,10H,1,5-6,8H2
InChIKey RRYRPKYYMDSAEK-UHFFFAOYSA-N
Molecular Weight 252.697 g/mol
SMILES C1C(Cc2c(O1)ccc(c2)Cl)C(=O)OCC=C
SPLASH splash10-014i-0900000000-fabc73bec0cf69bfd394
Source of Spectrum KD-12-859-5
Wiley ID 1634359