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10aH-Bis[1,2,4]oxadiazolo[4,5-d:5',4'-g][1,4]diazepine, 5,6,11,11a-tetrahydro-10a,11a-diphenyl-3,8-bis(2,4,6-trimethylphenyl)-, trans-
SpectraBase Compound ID 7uf51OAU78L
InChI InChI=1S/C37H38N4O2/c1-24-19-26(3)32(27(4)20-24)34-38-42-36(30-13-9-7-10-14-30)23-37(31-15-11-8-12-16-31)41(18-17-40(34)36)35(39-43-37)33-28(5)21-25(2)22-29(33)6/h7-16,19-22H,17-18,23H2,1-6H3/t36-,37-/m0/s1
InChIKey JXFVCILKBUVJEG-BCRBLDSWSA-N
Mol Weight 570.7 g/mol
Molecular Formula C37H38N4O2
Exact Mass 570.299476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Sths74i05l
Name 10aH-Bis[1,2,4]oxadiazolo[4,5-d:5',4'-g][1,4]diazepine, 5,6,11,11a-tetrahydro-10a,11a-diphenyl-3,8-bis(2,4,6-trimethylphenyl)-, trans-
CAS Registry Number 127840-04-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H38N4O2
InChI InChI=1S/C37H38N4O2/c1-24-19-26(3)32(27(4)20-24)34-38-42-36(30-13-9-7-10-14-30)23-37(31-15-11-8-12-16-31)41(18-17-40(34)36)35(39-43-37)33-28(5)21-25(2)22-29(33)6/h7-16,19-22H,17-18,23H2,1-6H3/t36-,37-/m0/s1
InChIKey JXFVCILKBUVJEG-BCRBLDSWSA-N
Molecular Weight 570.737 g/mol
SMILES [C@]12(N(C(c3c(cc(cc3C)C)C)=NO1)CCN1[C@@](C2)(ON=C1c1c(cc(cc1C)C)C)c1ccccc1)c1ccccc1
SPLASH splash10-0a4u-0920000000-f76cf659b451eda00531
Source of Spectrum Y-26-1622-11
Synonyms (10aS,11aS)-3,8-dimesityl-10a,11a-diphenyl-5,6,11,11a-tetrahydro-10aH-di[1,2,4]oxadiazolo[4,5-d:5,4-g][1,4]diazepine (trans)-3,8-dimesityl-r-10a,t-11a-diphenyl-6,10a,11,11a-tetrahydro-5H-bis[1,2,4]oxadiazolo[4,5-d:5',4'-g][1,4]diazepine (10aS,11aS)-10a,11a-diphenyl-3,8-bis(2,4,6-trimethylphenyl)-6,11-dihydro-5H-di[1,2,4]oxadiazolo[2,4-c:2',4'-g][1,4]diazepine
Wiley ID 1407753