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(6S,7S,8S)-6-[[(benzyloxy)carbonyl]amino]-7,8-bis[(methoxymethyl)oxy]non-1-ene
SpectraBase Compound ID 876eTWYlFBx
InChI InChI=1S/C21H33NO6/c1-5-6-8-13-19(20(28-16-25-4)17(2)27-15-24-3)22-21(23)26-14-18-11-9-7-10-12-18/h5,7,9-12,17,19-20H,1,6,8,13-16H2,2-4H3,(H,22,23)/t17-,19-,20+/m0/s1
InChIKey AJJQNPAMSOFQCS-YSIASYRMSA-N
Mol Weight 395.5 g/mol
Molecular Formula C21H33NO6
Exact Mass 395.230788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IH9yePB8PL2
Name (6S,7S,8S)-6-[[(benzyloxy)carbonyl]amino]-7,8-bis[(methoxymethyl)oxy]non-1-ene
Alternate Name(s) benzyl (1S)-1-[(1S,2S)-1,2-bis(methoxymethoxy)propyl]-5-hexenylcarbamate
CAS Registry Number 117941-21-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33NO6
InChI InChI=1S/C21H33NO6/c1-5-6-8-13-19(20(28-16-25-4)17(2)27-15-24-3)22-21(23)26-14-18-11-9-7-10-12-18/h5,7,9-12,17,19-20H,1,6,8,13-16H2,2-4H3,(H,22,23)/t17-,19-,20+/m0/s1
InChIKey AJJQNPAMSOFQCS-YSIASYRMSA-N
Molecular Weight 395.496 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@]([C@@]([C@@](OCOC)(C)[H])(OCOC)[H])(CCCC=C)[H]
SPLASH splash10-0006-9120000000-733fff100fed5c98cf8a
Source of Spectrum C-111-1406-52
Wiley ID 1367033