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3a,8a-Propano-4H-cyclohept[d]isoxazol-4-one, 3-(2,6-dichlorophenyl)-5,6,7,8-tetrahydro-
SpectraBase Compound ID 8CGE7NKnA8y
InChI InChI=1S/C17H17Cl2NO2/c18-11-5-3-6-12(19)14(11)15-17-10-4-9-16(17,22-20-15)8-2-1-7-13(17)21/h3,5-6H,1-2,4,7-10H2/t16-,17+/m1/s1
InChIKey CGJJOPBNZVODCR-SJORKVTESA-N
Mol Weight 338.23 g/mol
Molecular Formula C17H17Cl2NO2
Exact Mass 337.063634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hp7OTPanQoU
Name 3a,8a-Propano-4H-cyclohept[d]isoxazol-4-one, 3-(2,6-dichlorophenyl)-5,6,7,8-tetrahydro-
CAS Registry Number 104000-91-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17Cl2NO2
InChI InChI=1S/C17H17Cl2NO2/c18-11-5-3-6-12(19)14(11)15-17-10-4-9-16(17,22-20-15)8-2-1-7-13(17)21/h3,5-6H,1-2,4,7-10H2/t16-,17+/m1/s1
InChIKey CGJJOPBNZVODCR-SJORKVTESA-N
Molecular Weight 338.234 g/mol
SMILES C=1([C@@]23[C@](CCC3)(CCCCC2=O)ON1)c1c(Cl)cccc1Cl
SPLASH splash10-000l-9601000000-118c7268468625e129e4
Source of Spectrum Y-23-1683-0
Synonyms 10-(2,6-Dichlorophenyl)-8,9-oxaza[5.3.3]propell-9-en-2-one 10-(2,6-dichlorophenyl)-8-oxa-9-azatricyclo[5.3.3.0(1,7)]tridec-9-en-2-one
Wiley ID 1333010