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N-(1-adamantylmethyl)-4-(4-morpholinylsulfonyl)benzamide
SpectraBase Compound ID 3Gfm9Vu6s0G
InChI InChI=1S/C22H30N2O4S/c25-21(23-15-22-12-16-9-17(13-22)11-18(10-16)14-22)19-1-3-20(4-2-19)29(26,27)24-5-7-28-8-6-24/h1-4,16-18H,5-15H2,(H,23,25)/t16-,17+,18-,22-
InChIKey XNDMBFKCZXWNFI-MAMSFEPMSA-N
Mol Weight 418.55 g/mol
Molecular Formula C22H30N2O4S
Exact Mass 418.192629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3fH6LLv1tG
Name N-(1-adamantylmethyl)-4-(4-morpholinylsulfonyl)benzamide
Alternate Name(s) N-(1-adamantylmethyl)-4-morpholin-4-ylsulfonyl-benzamide N-(1-adamantylmethyl)-4-morpholinosulfonyl-benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30N2O4S
InChI InChI=1S/C22H30N2O4S/c25-21(23-15-22-12-16-9-17(13-22)11-18(10-16)14-22)19-1-3-20(4-2-19)29(26,27)24-5-7-28-8-6-24/h1-4,16-18H,5-15H2,(H,23,25)/t16-,17+,18-,22-
InChIKey XNDMBFKCZXWNFI-MAMSFEPMSA-N
Molecular Weight 418.552 g/mol
SMILES N(C(c1ccc(S(N2CCOCC2)(=O)=O)cc1)=O)CC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-000i-6900000000-9b5eadfdcee98821473f
Wiley ID 1451028