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2,4-Dimethyl-3-hydroxy-5-methoxy-5-phenyl-1-vinylpentan-N-(S)-1-(pheny)ethylcarbamate isomer
SpectraBase Compound ID 2MmZh7LRGbw
InChI InChI=1S/C25H33NO4/c1-6-22(30-25(28)26-19(4)20-13-9-7-10-14-20)17(2)23(27)18(3)24(29-5)21-15-11-8-12-16-21/h6-19,22-24,27H,1H2,2-5H3,(H,26,28)/t17-,18+,19?,22-,23-,24-/m0/s1
InChIKey DDRCWMSCGSGHGN-LZOOUZPYSA-N
Mol Weight 411.5 g/mol
Molecular Formula C25H33NO4
Exact Mass 411.240959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HM6LkQloKYE
Name 2,4-Dimethyl-3-hydroxy-5-methoxy-5-phenyl-1-vinylpentan-N-(S)-1-(pheny)ethylcarbamate isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33NO4
InChI InChI=1S/C25H33NO4/c1-6-22(30-25(28)26-19(4)20-13-9-7-10-14-20)17(2)23(27)18(3)24(29-5)21-15-11-8-12-16-21/h6-19,22-24,27H,1H2,2-5H3,(H,26,28)/t17-,18+,19?,22-,23-,24-/m0/s1
InChIKey DDRCWMSCGSGHGN-LZOOUZPYSA-N
Molecular Weight 411.542 g/mol
SMILES N(C(O[C@]([C@@]([C@@]([C@]([C@@](c1ccccc1)(OC)[H])(C)[H])(O)[H])(C)[H])(C=C)[H])=O)C(c1ccccc1)C
SPLASH splash10-0aor-0900000000-63162ba090405e49d9d6
Source of Spectrum AT-40-1124-7
Synonyms (1-Phenyl-ethyl)-carbamic acid (1S,2R,3S,4R,5S)-3-hydroxy-5-methoxy-2,4-dimethyl-5-phenyl-1-vinyl-pentyl ester
Wiley ID 854441