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adamantan-1-ylmethyl 4-(9H-fluorene-2-sulfonamido)benzoate
SpectraBase Compound ID AKN6js2R0Dp
InChI InChI=1S/C31H31NO4S/c33-30(36-19-31-16-20-11-21(17-31)13-22(12-20)18-31)23-5-7-26(8-6-23)32-37(34,35)27-9-10-29-25(15-27)14-24-3-1-2-4-28(24)29/h1-10,15,20-22,32H,11-14,16-19H2/t20-,21+,22-,31-
InChIKey JAAMWWKKWWZHEU-HSCDDBSWSA-N
Mol Weight 513.65 g/mol
Molecular Formula C31H31NO4S
Exact Mass 513.19738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G2gKyehCSCa
Name adamantan-1-ylmethyl 4-(9H-fluorene-2-sulfonamido)benzoate
Alternate Name(s) Benzoic acid, 4-[(9H-fluoren-2-ylsulfonyl)amino]-, tricyclo[3.3.1.1(3,7)]dec-1-ylmethyl ester 1-Adamantylmethyl 4-(9H-fluoren-2-ylsulfonylamino)benzoate
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Formula C31H31NO4S
InChI InChI=1S/C31H31NO4S/c33-30(36-19-31-16-20-11-21(17-31)13-22(12-20)18-31)23-5-7-26(8-6-23)32-37(34,35)27-9-10-29-25(15-27)14-24-3-1-2-4-28(24)29/h1-10,15,20-22,32H,11-14,16-19H2/t20-,21+,22-,31-
InChIKey JAAMWWKKWWZHEU-HSCDDBSWSA-N
Molecular Weight 513.652 g/mol
SMILES N(S(c1cc2Cc3ccccc3-c2cc1)(=O)=O)c1ccc(C(OCC23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])=O)cc1
SPLASH splash10-014i-4910000000-4c16a106074fcbeaf86c
Source of Spectrum IY-2-4964-7
Wiley ID 1657630