Debug Info

object
{15}
_id
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Brrri2i60X0
spectrumID
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Brrri2i60X0
cost
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1
specType
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131072
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dbLocation
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WMSL3X:223041:1
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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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Chondrofoline
SpectraBase Compound ID EYBQhJWNZdO
InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(42-4)36(37)43-5)13-15-39(2)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3
InChIKey DGAIZFTYTKDOEN-UHFFFAOYSA-N
Mol Weight 608.7 g/mol
Molecular Formula C37H40N2O6
Exact Mass 608.288637 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Brrri2i60X0
Name Tubocuraran-12'-ol, 6,6',7'-trimethoxy-2,2'-dimethyl-, (1.beta.)-
CAS Registry Number 31944-97-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H40N2O6
InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(42-4)36(37)43-5)13-15-39(2)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3
InChIKey DGAIZFTYTKDOEN-UHFFFAOYSA-N
Molecular Weight 608.735 g/mol
SMILES Oc1ccc2cc1Oc1cc3C(Cc4ccc(Oc5c6C(N(C)CCc6cc(OC)c5OC)C2)cc4)N(CCc3cc1OC)C
SPLASH splash10-0bta-0575009000-a8caefb212d3bc78f24e
Source of Spectrum W5-37904-27632-27632
Synonyms (R,R)-7-O-methylbebeerine 6,6',7'-trimethoxy-2,2'-dimethyltubocuraran-12'-ol Chondrofoline Curine, o7'-methyl-
Wiley ID 1410766
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