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Methyl (2S)(5Z,14Z)-2-{N-[(tert-butyloxy)carbonyl]-N-[(tert-butyloxy)carbonyl]amino}icosa-5,14-dienoate
SpectraBase Compound ID FvbUuR2rrvK
InChI InChI=1S/C31H55NO6/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27(33)36-8)32(28(34)37-30(2,3)4)29(35)38-31(5,6)7/h13-14,22-23,26H,9-12,15-21,24-25H2,1-8H3/b14-13-,23-22-/t26-/m0/s1
InChIKey JIFNPURKLCOLQX-AXDSPHOTSA-N
Mol Weight 537.8 g/mol
Molecular Formula C31H55NO6
Exact Mass 537.402938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4NxSEA3jnsk
Name Methyl (2S)(5Z,14Z)-2-{N-[(tert-butyloxy)carbonyl]-N-[(tert-butyloxy)carbonyl]amino}icosa-5,14-dienoate
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Formula C31H55NO6
InChI InChI=1S/C31H55NO6/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27(33)36-8)32(28(34)37-30(2,3)4)29(35)38-31(5,6)7/h13-14,22-23,26H,9-12,15-21,24-25H2,1-8H3/b14-13-,23-22-/t26-/m0/s1
InChIKey JIFNPURKLCOLQX-AXDSPHOTSA-N
Molecular Weight 537.782 g/mol
SMILES C(N(C(OC(C)(C)C)=O)[C@](C(=O)OC)(CC\C=C/CCCCCCC\C=C/CCCCC)[H])(OC(C)(C)C)=O
SPLASH splash10-0a59-8921000000-805e3f4afacac8893d6d
Source of Spectrum QC-9-3390-20
Synonyms Methyl (2S)(5Z,14Z)-2-{(tert-butoxy)-N-[(tert-butyloxy)carbonyl]carbonylamino}icosa-5,14-dienoate Methyl (2S,5Z,14Z)-2-[bis(tert-butoxycarbonyl)amino]-5,14-icosadienoate
Wiley ID 870792