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N-(tert-butoxycarbonyl) -1,2,3,4,5,6,7,8 -octahydro-3 -benzazecine-2 -carboxylic acid
SpectraBase Compound ID GYmp7AaIN1n
InChI InChI=1S/C19H27NO4/c1-19(2,3)24-18(23)20-12-8-4-5-9-14-10-6-7-11-15(14)13-16(20)17(21)22/h6-7,10-11,16H,4-5,8-9,12-13H2,1-3H3,(H,21,22)
InChIKey AGYQQFJJJBREBG-UHFFFAOYSA-N
Mol Weight 333.43 g/mol
Molecular Formula C19H27NO4
Exact Mass 333.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IKGTey2PSJn
Name N-(tert-butoxycarbonyl) -1,2,3,4,5,6,7,8 -octahydro-3 -benzazecine-2 -carboxylic acid
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Formula C19H27NO4
InChI InChI=1S/C19H27NO4/c1-19(2,3)24-18(23)20-12-8-4-5-9-14-10-6-7-11-15(14)13-16(20)17(21)22/h6-7,10-11,16H,4-5,8-9,12-13H2,1-3H3,(H,21,22)
InChIKey AGYQQFJJJBREBG-UHFFFAOYSA-N
Molecular Weight 333.428 g/mol
SMILES OC(C1N(C(OC(C)(C)C)=O)CCCCCc2c(C1)cccc2)=O
SPLASH splash10-0a5i-9560000000-9a819eb354c4b3906222
Source of Spectrum EMC-37-384-7e
Synonyms N-(tert-butoxycarbonyl)-1,2,3,4,5,6,7,8-octahydro-3-benzazecine-2-carboxylic acid 3-(tert-butoxycarbonyl)-1,2,3,4,5,6,7,8-octahydrobenzo[d]azecine-2-carboxylic acid 3-[(2-methylpropan-2-yl)oxy-oxomethyl]-2,4,5,6,7,8-hexahydro-1H-3-benzazecine-2-carboxylic acid 3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4,5,6,7,8-hexahydro-1H-3-benzazecine-2-carboxylic acid
Wiley ID 1734709