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object
{15}
_id
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19d8wvYv5c
spectrumID
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19d8wvYv5c
cost
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1
specType
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131072
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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compound
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12-[(3-ethyl-2-hydroxyphenyl)methyl]-6,18-dioxa-9,12,15-triazatetracyclo[21.3.1.0(5,26).0(19,24)]heptacosa-1(26),2,4,19,21,23-hexaene-8,16,25,27-tetrone
SpectraBase Compound ID LUAihwMIyD0
InChI InChI=1S/C31H31N3O7/c1-2-19-6-3-7-20(29(19)37)16-34-14-12-32-25(35)17-40-23-10-4-8-21-27(23)31(39)28-22(30(21)38)9-5-11-24(28)41-18-26(36)33-13-15-34/h3-11,37H,2,12-18H2,1H3,(H,32,35)(H,33,36)
InChIKey ZFMRWUMOENDQRW-UHFFFAOYSA-N
Mol Weight 557.6 g/mol
Molecular Formula C31H31N3O7
Exact Mass 557.2162 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19d8wvYv5c
Name 12-[(3-ethyl-2-hydroxyphenyl)methyl]-6,18-dioxa-9,12,15-triazatetracyclo[21.3.1.0(5,26).0(19,24)]heptacosa-1(26),2,4,19,21,23-hexaene-8,16,25,27-tetrone
Appearance Yellow crystals
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H31N3O7
InChI InChI=1S/C31H31N3O7/c1-2-19-6-3-7-20(29(19)37)16-34-14-12-32-25(35)17-40-23-10-4-8-21-27(23)31(39)28-22(30(21)38)9-5-11-24(28)41-18-26(36)33-13-15-34/h3-11,37H,2,12-18H2,1H3,(H,32,35)(H,33,36)
InChIKey ZFMRWUMOENDQRW-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.1811
Molecular Weight 557.603 g/mol
SMILES N1C(COc2cccc3c2C(c2c(cccc2OCC(=O)NCCN(Cc2c(c(ccc2)CC)O)CC1)C3=O)=O)=O
SPLASH splash10-0uxr-8192000000-612d8f0b69528cc185c1
Source of Spectrum Y-53-172-172-8
Thin-Layer Chromatography Rf = 0.40 (EtOH/EtOAc, 1:10)
Wiley ID 1877530
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