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N-[2-(1-adamantyloxy)ethyl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide
SpectraBase Compound ID D7Ji8Okyx5w
InChI InChI=1S/C21H26N4O4S/c26-19(12-30-20-23-17-2-1-16(25(27)28)8-18(17)24-20)22-3-4-29-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-2,8,13-15H,3-7,9-12H2,(H,22,26)(H,23,24)/t13-,14+,15-,21-
InChIKey QKJOCTKWWAVUHN-FZUGUKJMSA-N
Mol Weight 430.52 g/mol
Molecular Formula C21H26N4O4S
Exact Mass 430.167477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1c0BoW3dDAW
Name N-[2-(1-adamantyloxy)ethyl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N4O4S
InChI InChI=1S/C21H26N4O4S/c26-19(12-30-20-23-17-2-1-16(25(27)28)8-18(17)24-20)22-3-4-29-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-2,8,13-15H,3-7,9-12H2,(H,22,26)(H,23,24)/t13-,14+,15-,21-
InChIKey QKJOCTKWWAVUHN-FZUGUKJMSA-N
Molecular Weight 430.523 g/mol
SMILES [nH]1c2ccc(cc2nc1SCC(=O)NCCOC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])N(=O)=O
SPLASH splash10-000l-9620000000-6855bae8355f183ff34e
Synonyms N-[2-(1-adamantyloxy)ethyl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanamide N-[2-(1-adamantyloxy)ethyl]-2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetamide
Wiley ID 1442545