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N-[2-(1-adamantyloxy)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SpectraBase Compound ID HTkk0M5Xijt
InChI InChI=1S/C22H29N3O2S/c1-14-2-3-18-19(6-14)25-21(24-18)28-13-20(26)23-4-5-27-22-10-15-7-16(11-22)9-17(8-15)12-22/h2-3,6,15-17H,4-5,7-13H2,1H3,(H,23,26)(H,24,25)/t15-,16+,17-,22-
InChIKey VVUYHUZUKZQWHH-OMOYSXNNSA-N
Mol Weight 399.55 g/mol
Molecular Formula C22H29N3O2S
Exact Mass 399.198048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QTjIFPKYQv
Name N-[2-(1-adamantyloxy)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29N3O2S
InChI InChI=1S/C22H29N3O2S/c1-14-2-3-18-19(6-14)25-21(24-18)28-13-20(26)23-4-5-27-22-10-15-7-16(11-22)9-17(8-15)12-22/h2-3,6,15-17H,4-5,7-13H2,1H3,(H,23,26)(H,24,25)/t15-,16+,17-,22-
InChIKey VVUYHUZUKZQWHH-OMOYSXNNSA-N
Molecular Weight 399.553 g/mol
SMILES [nH]1c2ccc(cc2nc1SCC(=O)NCCOC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C
SPLASH splash10-01rl-9840000000-c7da5443f10d7644de45
Synonyms N-[2-(1-adamantyloxy)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamide N-[2-(1-adamantyloxy)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide
Wiley ID 1442544