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N-Benzyl-3,6-dibenzoyl-4,5-O-(isopropylidene)azepane
SpectraBase Compound ID GaxDODYHHlL
InChI InChI=1S/C30H31NO6/c1-30(2)36-26-24(34-28(32)22-14-8-4-9-15-22)19-31(18-21-12-6-3-7-13-21)20-25(27(26)37-30)35-29(33)23-16-10-5-11-17-23/h3-17,24-27H,18-20H2,1-2H3/t24?,25?,26-,27-/m1/s1
InChIKey CMYDPEWCQNFWKZ-ATEVHTGXSA-N
Mol Weight 501.58 g/mol
Molecular Formula C30H31NO6
Exact Mass 501.215138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IzGfX0910Vp
Name N-Benzyl-3,6-dibenzoyl-4,5-O-(isopropylidene)azepane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H31NO6
InChI InChI=1S/C30H31NO6/c1-30(2)36-26-24(34-28(32)22-14-8-4-9-15-22)19-31(18-21-12-6-3-7-13-21)20-25(27(26)37-30)35-29(33)23-16-10-5-11-17-23/h3-17,24-27H,18-20H2,1-2H3/t24?,25?,26-,27-/m1/s1
InChIKey CMYDPEWCQNFWKZ-ATEVHTGXSA-N
Molecular Weight 501.579 g/mol
SMILES [C@@]12([C@@](C(OC(=O)c3ccccc3)CN(CC1OC(=O)c1ccccc1)Cc1ccccc1)(OC(O2)(C)C)[H])[H]
SPLASH splash10-052f-9800000000-0c94beeaf8f448154bb8
Source of Spectrum Y1-36-223-5
Wiley ID 1526987