Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C32H33N3O2/c1-4-37-32(36)29-17-22(26-18-33-30-20(2)10-8-14-24(26)30)16-28(35(29)23-12-6-5-7-13-23)27-19-34-31-21(3)11-9-15-25(27)31/h5-15,18-19,22,28-29,33-34H,4,16-17H2,1-3H3/t22-,28-,29-/m0/s1
SMILES	CCOC(=O)[C@@H]1C[C@H](C[C@H](N1c1ccccc1)c1c[nH]c2c1cccc2C)c1c[nH]c2c1cccc2C
InChI Key	TVOSEASRHAEMSD-ZRKWFTTGSA-N
Molecular Formula	C32H33N3O2
Exact Mass	491.623 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/TVOSEASRHAEMSD-ZRKWFTTGSA-N/Mass/EI
License URL
Source	https://www.chemotion-repository.net/inchikey/TVOSEASRHAEMSD-ZRKWFTTGSA-N/Mass/EI
Version
Author	Sabilla Zhong
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:46:32.165600
MetadataModified	2024-09-07T13:06:02.884389
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
73427458	PubChem
The data in this table is sourced from UniChem at EBI.