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2-(5-Methyl-2-isopropylcyclohexyloxycarbonyl)benzoylazide
SpectraBase Compound ID Il36xTsTxBr
InChI InChI=1S/C18H23N3O3/c1-11(2)13-9-8-12(3)10-16(13)24-18(23)15-7-5-4-6-14(15)17(22)20-21-19/h4-7,11-13,16H,8-10H2,1-3H3/t12-,13+,16?/m1/s1
InChIKey NYKMILLUBALKFG-IMSGDLLMSA-N
Mol Weight 329.4 g/mol
Molecular Formula C18H23N3O3
Exact Mass 329.173942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89M1ZEHeIgw
Name 2-(5-Methyl-2-isopropylcyclohexyloxycarbonyl)benzoylazide
Alternate Name(s) 1-(2-{[(2-isopropyl-5-methylcyclohexyl)oxy]carbonyl}benzoyl)-1,2-triazadien-2-ium 2-Azidocarbonyl-benzoic acid (2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester
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Formula C18H23N3O3
InChI InChI=1S/C18H23N3O3/c1-11(2)13-9-8-12(3)10-16(13)24-18(23)15-7-5-4-6-14(15)17(22)20-21-19/h4-7,11-13,16H,8-10H2,1-3H3/t12-,13+,16?/m1/s1
InChIKey NYKMILLUBALKFG-IMSGDLLMSA-N
Molecular Weight 329.400 g/mol
SMILES C(c1c(C(N=[N+]=[N-])=O)cccc1)(OC1[C@@](CC[C@](C1)(C)[H])(C(C)C)[H])=O
SPLASH splash10-000e-9400000000-0fe7c4a8e7cde9df9fc5
Source of Spectrum SO-0-1126-2
Wiley ID 864529