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4-Hexadecynoic acid, 2-(phenylmethoxy)-, phenylmethyl ester
SpectraBase Compound ID Lbne4tZiaX3
InChI InChI=1S/C30H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-29(32-25-27-20-15-13-16-21-27)30(31)33-26-28-22-17-14-18-23-28/h13-18,20-23,29H,2-11,24-26H2,1H3
InChIKey FDGFVLSBAWZLIX-UHFFFAOYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C30H40O3
Exact Mass 448.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 80Hf1s6hsvN
Name 4-Hexadecynoic acid, 2-(phenylmethoxy)-, phenylmethyl ester
CAS Registry Number 41011-99-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H40O3
InChI InChI=1S/C30H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-29(32-25-27-20-15-13-16-21-27)30(31)33-26-28-22-17-14-18-23-28/h13-18,20-23,29H,2-11,24-26H2,1H3
InChIKey FDGFVLSBAWZLIX-UHFFFAOYSA-N
Molecular Weight 448.647 g/mol
SMILES CCCCCCCCCCCC#CCC(C(=O)OCc1ccccc1)OCc1ccccc1
SPLASH splash10-0006-9622000000-60369a0eabd5f6047e65
Source of Spectrum N-3-122-6
Synonyms Benzyl 2-(benzyloxy)-4-hexadecynoate (phenylmethyl) 2-phenylmethoxyhexadec-4-ynoate 2-Benzoxyhexadec-4-ynoic acid benzyl ester 2-Phenylmethoxy-4-hexadecynoic acid (phenylmethyl) ester benzyl 2-benzyloxyhexadec-4-ynoate benzyl 2-phenylmethoxyhexadec-4-ynoate
Wiley ID 1387365