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2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-phenyl-ethanamide

View entire compound with spectra: 1 MS (GC)

2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-phenyl-ethanamide
SpectraBase Compound ID wCM903txsh
InChI InChI=1S/C25H26N2O2S/c28-23(26-20-4-2-1-3-5-20)15-30-24-27-21-11-19(6-7-22(21)29-24)25-12-16-8-17(13-25)10-18(9-16)14-25/h1-7,11,16-18H,8-10,12-15H2,(H,26,28)/t16-,17+,18-,25-
InChIKey QREUAPLJTQGVAD-BLEMRMKPSA-N
Mol Weight 418.56 g/mol
Molecular Formula C25H26N2O2S
Exact Mass 418.171499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Jcq0Dp0UhU
Name 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-phenyl-ethanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26N2O2S
InChI InChI=1S/C25H26N2O2S/c28-23(26-20-4-2-1-3-5-20)15-30-24-27-21-11-19(6-7-22(21)29-24)25-12-16-8-17(13-25)10-18(9-16)14-25/h1-7,11,16-18H,8-10,12-15H2,(H,26,28)/t16-,17+,18-,25-
InChIKey QREUAPLJTQGVAD-BLEMRMKPSA-N
Molecular Weight 418.555 g/mol
SMILES N(C(=O)CSc1oc2ccc(cc2n1)C12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])c1ccccc1
SPLASH splash10-002f-9720000000-66e06b4c1301bf0eda0e
Synonyms 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]thio]-N-phenyl-acetamide 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]thio]-N-phenylacetamide 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-phenylacetamide
Wiley ID 1512297