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2-Pivaloylamino-9-allyloxy-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-allyloxy-4-(2',4',6'-trimethylbenzeneesulfonyloxy)-5,6,7,8,9,10-hexahydro-5,9-methanopyrimido[4,5-b]azocine
SpectraBase Compound ID 4Vpf6VayZjr
InChI InChI=1S/C27H36N4O5S/c1-8-12-35-27-11-9-10-19(15-27)20-22(31-27)28-25(30-24(32)26(5,6)7)29-23(20)36-37(33,34)21-17(3)13-16(2)14-18(21)4/h8,13-14,19H,1,9-12,15H2,2-7H3,(H2,28,29,30,31,32)
InChIKey NQJQABCDSRHAEV-UHFFFAOYSA-N
Mol Weight 528.7 g/mol
Molecular Formula C27H36N4O5S
Exact Mass 528.240641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5uM49XltwIe
Name 2-Pivaloylamino-9-allyloxy-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 C27H36N4O5S
InChI InChI=1S/C27H36N4O5S/c1-8-12-35-27-11-9-10-19(15-27)20-22(31-27)28-25(30-24(32)26(5,6)7)29-23(20)36-37(33,34)21-17(3)13-16(2)14-18(21)4/h8,13-14,19H,1,9-12,15H2,2-7H3,(H2,28,29,30,31,32)
InChIKey NQJQABCDSRHAEV-UHFFFAOYSA-N
Molecular Weight 528.668 g/mol
SMILES N(c1nc(c2c(n1)NC1(CC2CCC1)OCC=C)OS(c1c(cc(cc1C)C)C)(=O)=O)C(C(C)(C)C)=O
SPLASH splash10-066r-0903510000-2af573b36a1c7c765352
Source of Spectrum F-54-9515-15
Synonyms 2-Pivaloylamino-9-allyloxy-4-(2,4,6-trimethylbenzenesulfonyloxy)-5,6,7,8,9,10-hexahydro-5,9-methanopyrimido[4,5-b]azocine
Wiley ID 808272