| SpectraBase Spectrum ID |
G4yD76jDSR3 |
| Name |
Benzo[a]pyren-9-ol, 10-amino-7,8,9,10-tetrahydro-, benzoate (ester), trans-(.+-.)- |
| Alternate Name(s) |
(+-)-trans-10-amino-9-(benzoyloxy)-7,8,9,10-tetrahydro-benzo[a]pyrene
(9S,10S)-10-amino-7,8,9,10-tetrahydrobenzo[def]chrysen-9-yl benzoate
benzoic acid[(9S,10S)-10-amino-7,8,9,10-tetrahydrobenzo[a]pyren-9-yl]ester
[(9S,10S)-10-amino-7,8,9,10-tetrahydrobenzo[a]pyren-9-yl]benzoate
[(9S,10S)-10-azanyl-7,8,9,10-tetrahydrobenzo[a]pyren-9-yl]benzoate
[(9S,10S)-10-amino-7,8,9,10-tetrahydrobenzo[a]pyren-9-yl] benzoate
[(9S,10S)-10-azanyl-7,8,9,10-tetrahydrobenzo[a]pyren-9-yl] benzoate |
| CAS Registry Number |
128112-97-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H21NO2 |
| InChI |
InChI=1S/C27H21NO2/c28-26-22(30-27(29)18-5-2-1-3-6-18)14-12-20-15-19-10-9-16-7-4-8-17-11-13-21(25(20)26)24(19)23(16)17/h1-11,13,15,22,26H,12,14,28H2/t22-,26+/m0/s1 |
| InChIKey |
LRKHYHSYFOFLSS-BKMJKUGQSA-N |
| Molecular Weight |
391.470 g/mol |
| SMILES |
N[C@]1(c2c3c4c(ccc5c4c(cc3)ccc5)cc2CC[C@@]1(OC(=O)c1ccccc1)[H])[H] |
| SPLASH |
splash10-014i-0090000000-40ec69f306082fdea2c1 |
| Source of Spectrum |
J-55-4896-22 |
| Wiley ID |
1365471 |
![Benzo[a]pyren-9-ol, 10-amino-7,8,9,10-tetrahydro-, benzoate (ester), trans-(.+-.)-](/api/spectrum/G4yD76jDSR3/structure.png?h=300&w=458 "Benzo[a]pyren-9-ol, 10-amino-7,8,9,10-tetrahydro-, benzoate (ester), trans-(.+-.)-")
