For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-(hydroxymethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester
SpectraBase Compound ID 3ARjOzxnNgF
InChI InChI=1S/C25H27NO4/c1-25(2,3)30-24(28)26-14-18(15-27)23-20-12-8-7-11-19(20)22(13-21(23)26)29-16-17-9-5-4-6-10-17/h4-13,18,27H,14-16H2,1-3H3
InChIKey WGMIDKXPARNAEF-UHFFFAOYSA-N
Mol Weight 405.49 g/mol
Molecular Formula C25H27NO4
Exact Mass 405.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3UucbAApIBf
Name 1-(hydroxymethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester
CAS Registry Number 122745-39-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27NO4
InChI InChI=1S/C25H27NO4/c1-25(2,3)30-24(28)26-14-18(15-27)23-20-12-8-7-11-19(20)22(13-21(23)26)29-16-17-9-5-4-6-10-17/h4-13,18,27H,14-16H2,1-3H3
InChIKey WGMIDKXPARNAEF-UHFFFAOYSA-N
Molecular Weight 405.494 g/mol
SMILES OCC1CN(c2c1c1ccccc1c(c2)OCc1ccccc1)C(OC(C)(C)C)=O
SPLASH splash10-0006-9003000000-b2730deac4fb8c44b791
Source of Spectrum J-55-5830-14
Synonyms 5-Benzoxy-1-methylol-1,2-dihydrobenz[e]indole-3-carboxylic acid tert-butyl ester tert-Butyl 1-(hydroxymethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate tert-Butyl 5-benzyloxy-1-(hydroxymethyl)-1,2-dihydrobenzo[e]indole-3-carboxylate
Wiley ID 1371809