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Dimethyl (2E)(6S)-6-{N-[(tert-butyl)oxycarbonyl]-N-[(tert-butyl)oxycarbonyl]amino}hept-2-ene-dioate
SpectraBase Compound ID 6iKtHgHHlHu
InChI InChI=1S/C19H31NO8/c1-18(2,3)27-16(23)20(17(24)28-19(4,5)6)13(15(22)26-8)11-9-10-12-14(21)25-7/h10,12-13H,9,11H2,1-8H3/b12-10+/t13-/m0/s1
InChIKey WLQQNJHYBKNEFM-XSNHNAGMSA-N
Mol Weight 401.46 g/mol
Molecular Formula C19H31NO8
Exact Mass 401.204967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JXOY7QyDHfQ
Name Dimethyl (2E)(6S)-6-{N-[(tert-butyl)oxycarbonyl]-N-[(tert-butyl)oxycarbonyl]amino}hept-2-ene-dioate
Alternate Name(s) Dimethyl (2E)(6S)-6-{(tert-butyloxy)-N-[(tert-butyl)oxycarbonyl]carbonylamino}hept-2-ene-dioate Dimethyl (2E,6S)-6-[bis(tert-butoxycarbonyl)amino]-2-heptenedioate
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Formula C19H31NO8
InChI InChI=1S/C19H31NO8/c1-18(2,3)27-16(23)20(17(24)28-19(4,5)6)13(15(22)26-8)11-9-10-12-14(21)25-7/h10,12-13H,9,11H2,1-8H3/b12-10+/t13-/m0/s1
InChIKey WLQQNJHYBKNEFM-XSNHNAGMSA-N
Molecular Weight 401.456 g/mol
SMILES C(N(C(OC(C)(C)C)=O)[C@](C(=O)OC)(CC\C=C\C(=O)OC)[H])(OC(C)(C)C)=O
SPLASH splash10-0pbf-5930000000-604eab1bfb9392782d5b
Source of Spectrum QC-9-3390-22
Wiley ID 870790