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Dimethyl 2-methyl-3-(4'-([2.2]paracyclophanyl)-3H-isooxazole-4,5-dicarboxylate
SpectraBase Compound ID 90IQfPhfQDN
InChI InChI=1S/C24H25NO5/c1-25-21(20(23(26)28-2)22(30-25)24(27)29-3)19-14-17-9-8-15-4-6-16(7-5-15)10-12-18(19)13-11-17/h4-7,11,13-14,21H,8-10,12H2,1-3H3
InChIKey XFYJETVLGSLPHQ-UHFFFAOYSA-N
Mol Weight 407.47 g/mol
Molecular Formula C24H25NO5
Exact Mass 407.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBUN3Om9WGj
Name Dimethyl 2-methyl-3-(4'-([2.2]paracyclophanyl)-3H-isooxazole-4,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25NO5
InChI InChI=1S/C24H25NO5/c1-25-21(20(23(26)28-2)22(30-25)24(27)29-3)19-14-17-9-8-15-4-6-16(7-5-15)10-12-18(19)13-11-17/h4-7,11,13-14,21H,8-10,12H2,1-3H3
InChIKey XFYJETVLGSLPHQ-UHFFFAOYSA-N
Molecular Weight 407.466 g/mol
SMILES C1(=C(C(c2c3CCc4ccc(CCc(c2)cc3)cc4)N(O1)C)C(=O)OC)C(=O)OC
SPLASH splash10-0hmk-0298000000-21d924734d514807c2b7
Source of Spectrum F-62-4503-16
Wiley ID 1633249