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(phenylmethyl) N-[(E,2S)-6,9-bis(oxidanylidene)tridec-4-en-2-yl]carbamate
SpectraBase Compound ID 87MpOEfM153
InChI InChI=1S/C21H29NO4/c1-3-4-12-19(23)14-15-20(24)13-8-9-17(2)22-21(25)26-16-18-10-6-5-7-11-18/h5-8,10-11,13,17H,3-4,9,12,14-16H2,1-2H3,(H,22,25)/b13-8+/t17-/m0/s1
InChIKey CTPGQWBKMYEESX-YJJOXIQCSA-N
Mol Weight 359.47 g/mol
Molecular Formula C21H29NO4
Exact Mass 359.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DIkkTEQozG8
Name (phenylmethyl) N-[(E,2S)-6,9-bis(oxidanylidene)tridec-4-en-2-yl]carbamate
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Formula C21H29NO4
InChI InChI=1S/C21H29NO4/c1-3-4-12-19(23)14-15-20(24)13-8-9-17(2)22-21(25)26-16-18-10-6-5-7-11-18/h5-8,10-11,13,17H,3-4,9,12,14-16H2,1-2H3,(H,22,25)/b13-8+/t17-/m0/s1
InChIKey CTPGQWBKMYEESX-YJJOXIQCSA-N
Molecular Weight 359.466 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@](C\C=C\C(=O)CCC(=O)CCCC)(C)[H]
SPLASH splash10-000x-7900000000-b413306718b95952acd8
Source of Spectrum F-68-8882-14
Synonyms benzyl N-[(E,1S)-1-methyl-5,8-dioxo-dodec-3-enyl]carbamate benzyl N-[(E,2S)-6,9-dioxotridec-4-en-2-yl]carbamate N-[(E,1S)-5,8-diketo-1-methyl-dodec-3-enyl]carbamic acid benzyl ester N-[(E,2S)-6,9-dioxotridec-4-en-2-yl]carbamic acid (phenylmethyl) ester
Wiley ID 1573635