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1-[(1R)-2-[(1S)-1-methoxy-2,2-dimethyl-propyl]-1-methyl-allyl]-4-phenyl-urazole
SpectraBase Compound ID AQyw4RdxPKu
InChI InChI=1S/C18H25N3O3/c1-12(15(24-6)18(3,4)5)13(2)21-17(23)20(16(22)19-21)14-10-8-7-9-11-14/h7-11,13,15H,1H2,2-6H3,(H,19,22)/t13-,15-/m1/s1
InChIKey HSTWVMUZBOFPAM-UKRRQHHQSA-N
Mol Weight 331.42 g/mol
Molecular Formula C18H25N3O3
Exact Mass 331.189592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IZlkaQT3dq
Name 1-[(1R)-2-[(1S)-1-methoxy-2,2-dimethyl-propyl]-1-methyl-allyl]-4-phenyl-urazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25N3O3
InChI InChI=1S/C18H25N3O3/c1-12(15(24-6)18(3,4)5)13(2)21-17(23)20(16(22)19-21)14-10-8-7-9-11-14/h7-11,13,15H,1H2,2-6H3,(H,19,22)/t13-,15-/m1/s1
InChIKey HSTWVMUZBOFPAM-UKRRQHHQSA-N
Molecular Weight 331.416 g/mol
SMILES N1C(N(C(N1[C@@](C([C@](C(C)(C)C)(OC)[H])=C)(C)[H])=O)c1ccccc1)=O
SPLASH splash10-00dj-0951000000-1c677baae86ca31ec636
Source of Spectrum J-64-2200-7
Synonyms 1-[(1R,3S)-3-methoxy-1,4,4-trimethyl-2-methylene-pentyl]-4-phenyl-1,2,4-triazolidine-3,5-dione 1-[(2R,4S)-4-methoxy-5,5-dimethyl-3-methylenehexan-2-yl]-4-phenyl-1,2,4-triazolidine-3,5-dione 1-[(2R,4S)-4-methoxy-5,5-dimethyl-3-methylidene-hexan-2-yl]-4-phenyl-1,2,4-triazolidine-3,5-dione
Wiley ID 1529704