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Furo[3'',4'':3',4']cyclobuta[1',2':3,4]cyclobut[1,2-d]isoxazole-4,6-dione, 3a,3b,3c,6a,6b,6c-hexahydro-3-(2,4,6-trimethylphenyl)-, (3a.alpha.,3b.beta.,3c.alpha.,6a.alpha.,6b.beta.,6c.alpha.)-
SpectraBase Compound ID GdjoarSAfNu
InChI InChI=1S/C18H17NO4/c1-6-4-7(2)9(8(3)5-6)15-14-10-11(16(14)23-19-15)13-12(10)17(20)22-18(13)21/h4-5,10-14,16H,1-3H3
InChIKey GKXIZDITNNSYEU-UHFFFAOYSA-N
Mol Weight 311.34 g/mol
Molecular Formula C18H17NO4
Exact Mass 311.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLFGwhBA7oE
Name Furo[3'',4'':3',4']cyclobuta[1',2':3,4]cyclobut[1,2-d]isoxazole-4,6-dione, 3a,3b,3c,6a,6b,6c-hexahydro-3-(2,4,6-trimethylphenyl)-, (3a.alpha.,3b.beta.,3c.alpha.,6a.alpha.,6b.beta.,6c.alpha.)-
CAS Registry Number 100853-86-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO4
InChI InChI=1S/C18H17NO4/c1-6-4-7(2)9(8(3)5-6)15-14-10-11(16(14)23-19-15)13-12(10)17(20)22-18(13)21/h4-5,10-14,16H,1-3H3
InChIKey GKXIZDITNNSYEU-UHFFFAOYSA-N
Molecular Weight 311.337 g/mol
SMILES C12C(=NOC2C2C3C(=O)OC(C3C12)=O)c1c(cc(cc1C)C)C
SPLASH splash10-0a4i-0902000000-7dbf0f625ef958b11918
Source of Spectrum K-118-4215-8
Synonyms 3-mesityl-3a,3b,3c,6a,6b,6c-hexahydrofuro[3'',4'':3',4']cyclobuta[1',2':3,4]cyclobuta[1,2-d]isoxazole-4,6-dione 9-(2,4,6-Trimethylphenyl)-7-oxa-8-aza-exo-tricyclo[4.3.0.0(2,5)]non-8-en-endo-3,endo-4-dicarbonsaureanhydrid Furo[3'',4'':3',4']cyclobuta[1',2':3,4]cyclobut[1,2-d]isoxazole-4,6-dione, 3a,3b,3c,6a,6b,6c-hexahydro-3-(2,4,6-trimethylphenyl)-, (3a.alpha.,3b.beta.,3c.alpha.,6a.alpha.,6b.beta.,6c.alpha.)-
Wiley ID 1312484