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(4S,5R)-4-Benzyloxy-1-(4-methoxybenzyl)-5-cyclohexylmethyl-2-pyrrolidinone
SpectraBase Compound ID HZtvXFqhM0x
InChI InChI=1S/C26H33NO3/c1-29-23-14-12-21(13-15-23)18-27-24(16-20-8-4-2-5-9-20)25(17-26(27)28)30-19-22-10-6-3-7-11-22/h3,6-7,10-15,20,24-25H,2,4-5,8-9,16-19H2,1H3/t24-,25+/m1/s1
InChIKey NGVUOATZTGYFAH-RPBOFIJWSA-N
Mol Weight 407.6 g/mol
Molecular Formula C26H33NO3
Exact Mass 407.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDZHNXqAskN
Name (4S,5R)-4-Benzyloxy-1-(4-methoxybenzyl)-5-cyclohexylmethyl-2-pyrrolidinone
Alternate Name(s) (4S,5R)-4-(benzyloxy)-5-(cyclohexylmethyl)-1-(4-methoxybenzyl)-2-pyrrolidinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H33NO3
InChI InChI=1S/C26H33NO3/c1-29-23-14-12-21(13-15-23)18-27-24(16-20-8-4-2-5-9-20)25(17-26(27)28)30-19-22-10-6-3-7-11-22/h3,6-7,10-15,20,24-25H,2,4-5,8-9,16-19H2,1H3/t24-,25+/m1/s1
InChIKey NGVUOATZTGYFAH-RPBOFIJWSA-N
Molecular Weight 407.554 g/mol
SMILES C1(N([C@@]([C@](C1)(OCc1ccccc1)[H])(CC1CCCCC1)[H])Cc1ccc(cc1)OC)=O
SPLASH splash10-00di-2900300000-6b44bfd7c84e8c5937cd
Source of Spectrum KD-14-2106-18
Wiley ID 1636168