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Hexacontanoic acid, propyl ester
SpectraBase Compound ID 2bZY5fwLCI7
InChI InChI=1S/C63H126O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54-55-56-57-58-59-60-61-63(64)65-62-4-2/h3-62H2,1-2H3
InChIKey IYTVOKCKALMTON-UHFFFAOYSA-N
Mol Weight 915.7 g/mol
Molecular Formula C63H126O2
Exact Mass 914.975783 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3p4YRoZUWCn
Name Hexacontanoic acid, propyl ester
Alternate Name(s) Propyl hexacontanoate
CAS Registry Number 40710-40-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C63H126O2
InChI InChI=1S/C63H126O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54-55-56-57-58-59-60-61-63(64)65-62-4-2/h3-62H2,1-2H3
InChIKey IYTVOKCKALMTON-UHFFFAOYSA-N
Molecular Weight 915.699 g/mol
SMILES C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCC(OCCC)=O
SPLASH splash10-0ckc-9300000001-3df560d741b787f3750f
Source of Spectrum N-3-134-18
Wiley ID 1418095