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1,7-Dimethyl-4-benzyl-4-aza-2,6,13-trioxapentacyclo[5.5.1.0(3,11).0(5,9).0(8,12)]tridecane
SpectraBase Compound ID 95twi06a4Ck
InChI InChI=1S/C18H21NO3/c1-17-13-11-8-12-14(13)18(2,22-17)21-16(12)19(15(11)20-17)9-10-6-4-3-5-7-10/h3-7,11-16H,8-9H2,1-2H3/t11-,12+,13-,14+,15+,16-,17+,18-
InChIKey UCUDVJWJFNGHIC-HSNJFRPJSA-N
Mol Weight 299.37 g/mol
Molecular Formula C18H21NO3
Exact Mass 299.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUEWIhM57rX
Name 1,7-Dimethyl-4-benzyl-4-aza-2,6,13-trioxapentacyclo[5.5.1.0(3,11).0(5,9).0(8,12)]tridecane
Comments Less than 3 mono-isotopic peaks
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Formula C18H21NO3
InChI InChI=1S/C18H21NO3/c1-17-13-11-8-12-14(13)18(2,22-17)21-16(12)19(15(11)20-17)9-10-6-4-3-5-7-10/h3-7,11-16H,8-9H2,1-2H3/t11-,12+,13-,14+,15+,16-,17+,18-
InChIKey UCUDVJWJFNGHIC-HSNJFRPJSA-N
Molecular Weight 299.370 g/mol
SMILES [C@@]12(N([C@]3(O[C@@]4([C@@]5([C@]3(C[C@]1([C@@]5([C@@](O2)(C)O4)[H])[H])[H])[H])C)[H])Cc1ccccc1)[H]
SPLASH splash10-0006-9000000000-1389c6dd4a671282f399
Source of Spectrum F-54-5976-6
Synonyms 8-benzyl-1,11-dimethyl-10,12,13-trioxa-8-azapentacyclo[5.5.1.0(2,6).0(3,11).0(4,9)]tridecane
Wiley ID 807059