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2-Methyl-7-oxotritetracont-1,5-dien-21-ol
SpectraBase Compound ID 4mAuMQrgg4Z
InChI InChI=1S/C44H84O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-29-32-38-43(45)39-33-30-27-24-21-19-22-25-28-31-34-40-44(46)41-36-35-37-42(2)3/h36,41,43,45H,2,4-35,37-40H2,1,3H3/b41-36+
InChIKey ZUOATUJMIHCSSK-JWBCNFBXSA-N
Mol Weight 645.2 g/mol
Molecular Formula C44H84O2
Exact Mass 644.647132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BWUDfUqc3Qi
Name 2-Methyl-7-oxotritetracont-1,5-dien-21-ol
Alternate Name(s) (5E)-21-hydroxy-2-methyl-1,5-tritetracontadien-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H84O2
InChI InChI=1S/C44H84O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-29-32-38-43(45)39-33-30-27-24-21-19-22-25-28-31-34-40-44(46)41-36-35-37-42(2)3/h36,41,43,45H,2,4-35,37-40H2,1,3H3/b41-36+
InChIKey ZUOATUJMIHCSSK-JWBCNFBXSA-N
Molecular Weight 645.154 g/mol
SMILES OC(CCCCCCCCCCCCCC(\C=C\CCC(=C)C)=O)CCCCCCCCCCCCCCCCCCCCCC
SPLASH splash10-052f-9000000000-c2b79169cf32f421cc88
Source of Spectrum Y1-38-707-3
Wiley ID 1527739