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3H-Benzo[b]cyclobuta[d]pyran-3-one, 2a-acetyl-1,1-dichloro-1,2,2a,8b-tetrahydro-, cis-
SpectraBase Compound ID EMuTVR4uohV
InChI InChI=1S/C13H10Cl2O3/c1-7(16)12-6-13(14,15)10(12)8-4-2-3-5-9(8)18-11(12)17/h2-5,10H,6H2,1H3
InChIKey WRWQAUAEKWGSFP-UHFFFAOYSA-N
Mol Weight 285.13 g/mol
Molecular Formula C13H10Cl2O3
Exact Mass 284.0007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jWuvh2x6W
Name 3H-Benzo[b]cyclobuta[d]pyran-3-one, 2a-acetyl-1,1-dichloro-1,2,2a,8b-tetrahydro-, cis-
CAS Registry Number 59744-00-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10Cl2O3
InChI InChI=1S/C13H10Cl2O3/c1-7(16)12-6-13(14,15)10(12)8-4-2-3-5-9(8)18-11(12)17/h2-5,10H,6H2,1H3
InChIKey WRWQAUAEKWGSFP-UHFFFAOYSA-N
Molecular Weight 285.126 g/mol
SMILES C12(C(Oc3c(C2C(C1)(Cl)Cl)cccc3)=O)C(=O)C
SPLASH splash10-05g3-2900000000-6549eafab23c1a0c3481
Source of Spectrum H-59-839-8
Synonyms 2a-acetyl-1,1-dichloro-1,2,2a,8b-tetrahydro-3H-cyclobuta[c]chromen-3-one 2a-acetyl-1,1-dichloro-1,2,2a,8b-tetrahydro-cyclobuta(c)cumarin
Wiley ID 1287490