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(4S)-Benzyl-3-[(1R,2S)-2'-heptylcyclopropyl]-acetyl-1,3-oxazolan-2-one
SpectraBase Compound ID 5T2jUZMMACh
InChI InChI=1S/C22H31NO3/c1-2-3-4-5-9-12-18-14-19(18)15-21(24)23-20(16-26-22(23)25)13-17-10-7-6-8-11-17/h6-8,10-11,18-20H,2-5,9,12-16H2,1H3/t18-,19+,20-/m0/s1
InChIKey LPETXEGVNXJSPW-ZCNNSNEGSA-N
Mol Weight 357.49 g/mol
Molecular Formula C22H31NO3
Exact Mass 357.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GT0quMeOKQr
Name (4S)-Benzyl-3-[(1R,2S)-2'-heptylcyclopropyl]-acetyl-1,3-oxazolan-2-one
Alternate Name(s) (S)-4-benzyl-3-(2-((1R,2S)-2-heptylcyclopropyl)acetyl)oxazolidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO3
InChI InChI=1S/C22H31NO3/c1-2-3-4-5-9-12-18-14-19(18)15-21(24)23-20(16-26-22(23)25)13-17-10-7-6-8-11-17/h6-8,10-11,18-20H,2-5,9,12-16H2,1H3/t18-,19+,20-/m0/s1
InChIKey LPETXEGVNXJSPW-ZCNNSNEGSA-N
Molecular Weight 357.494 g/mol
SMILES C(N1C(OC[C@@]1(Cc1ccccc1)[H])=O)(C[C@]1(C[C@@]1(CCCCCCC)[H])[H])=O
SPLASH splash10-0006-9311000000-7a9d9bd0745040c5c29a
Source of Spectrum F5-4-330-19
Wiley ID 1732661