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Benzyl (1R,2R)-N-(2-chloro-1-isobutylpent-4-enyl)-N-[(4-methylphenyl)thio]carbamate
SpectraBase Compound ID KbYG0cUYWEk
InChI InChI=1S/C24H30ClNO2S/c1-5-9-22(25)23(16-18(2)3)26(29-21-14-12-19(4)13-15-21)24(27)28-17-20-10-7-6-8-11-20/h5-8,10-15,18,22-23H,1,9,16-17H2,2-4H3/t22-,23-/m1/s1
InChIKey URVWKYRPGYAEQM-DHIUTWEWSA-N
Mol Weight 432.02 g/mol
Molecular Formula C24H30ClNO2S
Exact Mass 431.168578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I0UNzShDyIc
Name Benzyl (1R,2R)-N-(2-chloro-1-isobutylpent-4-enyl)-N-[(4-methylphenyl)thio]carbamate
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Formula C24H30ClNO2S
InChI InChI=1S/C24H30ClNO2S/c1-5-9-22(25)23(16-18(2)3)26(29-21-14-12-19(4)13-15-21)24(27)28-17-20-10-7-6-8-11-20/h5-8,10-15,18,22-23H,1,9,16-17H2,2-4H3/t22-,23-/m1/s1
InChIKey URVWKYRPGYAEQM-DHIUTWEWSA-N
Molecular Weight 432.022 g/mol
SMILES C(N([C@](CC(C)C)([C@](Cl)(CC=C)[H])[H])Sc1ccc(cc1)C)(OCc1ccccc1)=O
SPLASH splash10-0006-9100400000-0d888438569297bcb99c
Source of Spectrum U1-2002-3339-2
Synonyms benzyl (1R,2R)-2-chloro-1-isobutyl-4-pentenyl[(4-methylphenyl)sulfanyl]carbamate
Wiley ID 1523199