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(S)-2-Heptadecyl-4-Isopropyloxazoline
SpectraBase Compound ID BvEL8O66MEo
InChI InChI=1S/C23H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-24-22(20-25-23)21(2)3/h21-22H,4-20H2,1-3H3/t22-/m1/s1
InChIKey SMDUXIXGHUPWBB-JOCHJYFZSA-N
Mol Weight 351.6 g/mol
Molecular Formula C23H45NO
Exact Mass 351.350115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9YQRAl3Kxk5
Name (S)-2-Heptadecyl-4-Isopropyloxazoline
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H45NO
InChI InChI=1S/C23H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-24-22(20-25-23)21(2)3/h21-22H,4-20H2,1-3H3/t22-/m1/s1
InChIKey SMDUXIXGHUPWBB-JOCHJYFZSA-N
Instrument Name JEOL JMS-700
Ionization Type EI
Molecular Weight 351.619 g/mol
Optical Rotation 25[a]589 = -33.3 (c = 1.0, CH2Cl2)
Reported Formula C231H45NO
SMILES C=1(OC[C@@](N1)(C(C)C)[H])CCCCCCCCCCCCCCCCC
SPLASH splash10-0a4i-0019000000-f8d867c1c70a596277e7
Source of Spectrum US20110098479A1
Wiley ID 1861762