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2-Pivaloylamino-9-pivaloyloxy-4-(2',4',6'-trimethylbenzeneesulfonyloxy)-5,6,7,8,9,10-hexahydro-5,9-methanopyrimido[4,5-b]azocine

View entire compound with spectra: 1 MS (GC)

2-Pivaloylamino-9-pivaloyloxy-4-(2',4',6'-trimethylbenzeneesulfonyloxy)-5,6,7,8,9,10-hexahydro-5,9-methanopyrimido[4,5-b]azocine
SpectraBase Compound ID AHzhd05DNmh
InChI InChI=1S/C29H40N4O6S/c1-16-13-17(2)21(18(3)14-16)40(36,37)39-23-20-19-11-10-12-29(15-19,38-25(35)28(7,8)9)33-22(20)30-26(31-23)32-24(34)27(4,5)6/h13-14,19H,10-12,15H2,1-9H3,(H2,30,31,32,33,34)
InChIKey BQKQPUBHJRMANL-UHFFFAOYSA-N
Mol Weight 572.7 g/mol
Molecular Formula C29H40N4O6S
Exact Mass 572.266856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8KXXayxWp
Name 2-Pivaloylamino-9-pivaloyloxy-4-(2',4',6'-trimethylbenzeneesulfonyloxy)-5,6,7,8,9,10-hexahydro-5,9-methanopyrimido[4,5-b]azocine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H40N4O6S
InChI InChI=1S/C29H40N4O6S/c1-16-13-17(2)21(18(3)14-16)40(36,37)39-23-20-19-11-10-12-29(15-19,38-25(35)28(7,8)9)33-22(20)30-26(31-23)32-24(34)27(4,5)6/h13-14,19H,10-12,15H2,1-9H3,(H2,30,31,32,33,34)
InChIKey BQKQPUBHJRMANL-UHFFFAOYSA-N
Molecular Weight 572.721 g/mol
SMILES N(c1nc(c2c(n1)NC1(CC2CCC1)OC(C(C)(C)C)=O)OS(c1c(cc(cc1C)C)C)(=O)=O)C(C(C)(C)C)=O
SPLASH splash10-0a4i-0002920000-f1bd8e3bc0aa139d4452
Source of Spectrum F-54-9514-13
Synonyms 2-Pivaloylamino-9-pivaloyloxy-4-(2,4,6-trimethylbenzenesulfonyloxy)-5,6,7,8,9,10-hexahydro-5,9-methanopyrimido[4,5-b]azocine
Wiley ID 808273