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3-(4'-([2.2]Paracyclophanyl)-3,4,4,5-tetrahydro-2-methyl-5-phenylisooxazole
SpectraBase Compound ID 6mR3tg1qQDg
InChI InChI=1S/C26H27NO/c1-27-25(18-26(28-27)23-5-3-2-4-6-23)24-17-21-12-11-19-7-9-20(10-8-19)13-15-22(24)16-14-21/h2-10,14,16-17,25-26H,11-13,15,18H2,1H3/t25-,26+/m0/s1
InChIKey WJTHVEDKATUUIY-IZZNHLLZSA-N
Mol Weight 369.51 g/mol
Molecular Formula C26H27NO
Exact Mass 369.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ACFpYNkRtyy
Name 3-(4'-([2.2]Paracyclophanyl)-3,4,4,5-tetrahydro-2-methyl-5-phenylisooxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27NO
InChI InChI=1S/C26H27NO/c1-27-25(18-26(28-27)23-5-3-2-4-6-23)24-17-21-12-11-19-7-9-20(10-8-19)13-15-22(24)16-14-21/h2-10,14,16-17,25-26H,11-13,15,18H2,1H3/t25-,26+/m0/s1
InChIKey WJTHVEDKATUUIY-IZZNHLLZSA-N
Molecular Weight 369.508 g/mol
SMILES [C@]1(N(O[C@](C1)(c1ccccc1)[H])C)(c1c2ccc(c1)CCc1ccc(CC2)cc1)[H]
SPLASH splash10-05tf-2954000000-198a9fe12941270b8859
Source of Spectrum F-62-4503-14
Wiley ID 1633250