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1a-(chloromethyl)-7a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-dione
SpectraBase Compound ID 7Xpn4tJU5oI
InChI InChI=1S/C31H45ClO3/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-30-28(33)26-17-6-7-18-27(26)29(34)31(30,21-32)35-30/h6-7,17-19,22-24H,8-16,20-21H2,1-5H3/b25-19+
InChIKey IQZRDEYKPNMTKJ-NCELDCMTSA-N
Mol Weight 501.2 g/mol
Molecular Formula C31H45ClO3
Exact Mass 500.305723 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2OGb3sJdgHz
Name 1a-(chloromethyl)-7a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-dione
Alternate Name(s) 1a-(chloromethyl)-7a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H45ClO3
InChI InChI=1S/C31H45ClO3/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-30-28(33)26-17-6-7-18-27(26)29(34)31(30,21-32)35-30/h6-7,17-19,22-24H,8-16,20-21H2,1-5H3/b25-19+
InChIKey IQZRDEYKPNMTKJ-NCELDCMTSA-N
Molecular Weight 501.151 g/mol
SMILES C12(C(C(=O)c3c(C2=O)cccc3)(C\C=C\(CCCC(CCCC(CCCC(C)C)C)C)C)O1)CCl
SPLASH splash10-000i-0090110000-13c2ad66c467face8447
Source of Spectrum SK-20-436-6
Wiley ID 851356