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2,1-Benzisoxazole-7-carboxylic acid, 5-[[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]amino]carbonyl]-1,3-dihydro-1-methyl-3-oxo-
SpectraBase Compound ID BC9Pkse7Ql4
InChI InChI=1S/C30H40N2O6/c1-8-29(3,4)20-12-13-24(23(18-20)30(5,6)9-2)37-15-11-10-14-31-26(33)19-16-21(27(34)35)25-22(17-19)28(36)38-32(25)7/h12-13,16-18H,8-11,14-15H2,1-7H3,(H,31,33)(H,34,35)
InChIKey CIIHSPLWMGLHGG-UHFFFAOYSA-N
Mol Weight 524.7 g/mol
Molecular Formula C30H40N2O6
Exact Mass 524.288637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3oWiu0RlwG
Name 2,1-Benzisoxazole-7-carboxylic acid, 5-[[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]amino]carbonyl]-1,3-dihydro-1-methyl-3-oxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H40N2O6
InChI InChI=1S/C30H40N2O6/c1-8-29(3,4)20-12-13-24(23(18-20)30(5,6)9-2)37-15-11-10-14-31-26(33)19-16-21(27(34)35)25-22(17-19)28(36)38-32(25)7/h12-13,16-18H,8-11,14-15H2,1-7H3,(H,31,33)(H,34,35)
InChIKey CIIHSPLWMGLHGG-UHFFFAOYSA-N
Molecular Weight 524.658 g/mol
SMILES N(CCCCOc1ccc(C(CC)(C)C)cc1C(C)(C)CC)C(c1cc(C(O)=O)c2N(OC(c2c1)=O)C)=O
SPLASH splash10-0abc-4490000000-56b8b4a000089d75ea73
Source of Spectrum JX-2015-4-1059
Synonyms 5-((4-(2,4-di-tert-pentylphenoxy)butyl)carbamoyl)-1-methyl-3-oxo-1,3-dihydrobenzo[c]isoxazole-7-carboxylic acid 5-({4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}carbamoyl)-1-methyl-3-oxo-1,3-dihydro-2,1-benzoxazole-7-carboxylic acid 5-[[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylamino]-oxomethyl]-1-methyl-3-oxo-2,1-benzoxazole-7-carboxylic acid 5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamoyl]-1-methyl-3-oxo-2,1-benzoxazole-7-carboxylic acid 5-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butylcarbamoyl]-1-methyl-3-oxo-2,1-benzoxazole-7-carboxylic acid 5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamoyl]-1-methyl-3-oxidanylidene-2,1-benzoxazole-7-carboxylic acid
Wiley ID 1726462